Mercurial > repos > bgruening > sklearn_stacking_ensemble_models
annotate search_model_validation.py @ 8:6430b9b00d2f draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9e28f4466084464d38d3f8db2aff07974be4ba69"
| author | bgruening | 
|---|---|
| date | Wed, 11 Mar 2020 17:24:17 +0000 | 
| parents | 00819b7f2f55 | 
| children | b8c92e94ac1d | 
| rev | line source | 
|---|---|
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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1 import argparse | 
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2 import collections | 
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3 import imblearn | 
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2
 
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4 import joblib | 
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5 import json | 
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6 import numpy as np | 
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7
 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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7 import os | 
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8 import pandas as pd | 
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9 import pickle | 
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47467890f541
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10 import skrebate | 
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11 import sys | 
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47467890f541
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12 import warnings | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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13 from scipy.io import mmread | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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14 from sklearn import (cluster, decomposition, feature_selection, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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15 kernel_approximation, model_selection, preprocessing) | 
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16 from sklearn.exceptions import FitFailedWarning | 
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17 from sklearn.model_selection._validation import _score, cross_validate | 
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18 from sklearn.model_selection import _search, _validation | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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19 from sklearn.pipeline import Pipeline | 
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20 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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21 from galaxy_ml.utils import (SafeEval, get_cv, get_scoring, load_model, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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22 read_columns, try_get_attr, get_module, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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23 clean_params, get_main_estimator) | 
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24 | 
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0
 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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25 | 
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2
 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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26 _fit_and_score = try_get_attr('galaxy_ml.model_validations', '_fit_and_score') | 
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27 setattr(_search, '_fit_and_score', _fit_and_score) | 
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28 setattr(_validation, '_fit_and_score', _fit_and_score) | 
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29 | 
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7
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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30 N_JOBS = int(os.environ.get('GALAXY_SLOTS', 1)) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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31 # handle disk cache | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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32 CACHE_DIR = os.path.join(os.getcwd(), 'cached') | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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33 del os | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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34 NON_SEARCHABLE = ('n_jobs', 'pre_dispatch', 'memory', '_path', | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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35 'nthread', 'callbacks') | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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36 | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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37 | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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38 def _eval_search_params(params_builder): | 
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39 search_params = {} | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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40 | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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41 for p in params_builder['param_set']: | 
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47467890f541
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42 search_list = p['sp_list'].strip() | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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43 if search_list == '': | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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44 continue | 
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45 | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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46 param_name = p['sp_name'] | 
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47 if param_name.lower().endswith(NON_SEARCHABLE): | 
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48 print("Warning: `%s` is not eligible for search and was " | 
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49 "omitted!" % param_name) | 
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50 continue | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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51 | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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52 if not search_list.startswith(':'): | 
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53 safe_eval = SafeEval(load_scipy=True, load_numpy=True) | 
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54 ev = safe_eval(search_list) | 
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55 search_params[param_name] = ev | 
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56 else: | 
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57 # Have `:` before search list, asks for estimator evaluatio | 
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58 safe_eval_es = SafeEval(load_estimators=True) | 
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59 search_list = search_list[1:].strip() | 
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60 # TODO maybe add regular express check | 
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61 ev = safe_eval_es(search_list) | 
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62 preprocessings = ( | 
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63 preprocessing.StandardScaler(), preprocessing.Binarizer(), | 
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64 preprocessing.MaxAbsScaler(), | 
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65 preprocessing.Normalizer(), preprocessing.MinMaxScaler(), | 
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66 preprocessing.PolynomialFeatures(), | 
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67 preprocessing.RobustScaler(), feature_selection.SelectKBest(), | 
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68 feature_selection.GenericUnivariateSelect(), | 
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69 feature_selection.SelectPercentile(), | 
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70 feature_selection.SelectFpr(), feature_selection.SelectFdr(), | 
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71 feature_selection.SelectFwe(), | 
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72 feature_selection.VarianceThreshold(), | 
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73 decomposition.FactorAnalysis(random_state=0), | 
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74 decomposition.FastICA(random_state=0), | 
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75 decomposition.IncrementalPCA(), | 
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76 decomposition.KernelPCA(random_state=0, n_jobs=N_JOBS), | 
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77 decomposition.LatentDirichletAllocation( | 
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78 random_state=0, n_jobs=N_JOBS), | 
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79 decomposition.MiniBatchDictionaryLearning( | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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80 random_state=0, n_jobs=N_JOBS), | 
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81 decomposition.MiniBatchSparsePCA( | 
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82 random_state=0, n_jobs=N_JOBS), | 
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83 decomposition.NMF(random_state=0), | 
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84 decomposition.PCA(random_state=0), | 
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85 decomposition.SparsePCA(random_state=0, n_jobs=N_JOBS), | 
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86 decomposition.TruncatedSVD(random_state=0), | 
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87 kernel_approximation.Nystroem(random_state=0), | 
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88 kernel_approximation.RBFSampler(random_state=0), | 
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89 kernel_approximation.AdditiveChi2Sampler(), | 
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90 kernel_approximation.SkewedChi2Sampler(random_state=0), | 
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91 cluster.FeatureAgglomeration(), | 
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92 skrebate.ReliefF(n_jobs=N_JOBS), | 
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93 skrebate.SURF(n_jobs=N_JOBS), | 
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94 skrebate.SURFstar(n_jobs=N_JOBS), | 
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95 skrebate.MultiSURF(n_jobs=N_JOBS), | 
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96 skrebate.MultiSURFstar(n_jobs=N_JOBS), | 
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97 imblearn.under_sampling.ClusterCentroids( | 
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98 random_state=0, n_jobs=N_JOBS), | 
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99 imblearn.under_sampling.CondensedNearestNeighbour( | 
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100 random_state=0, n_jobs=N_JOBS), | 
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101 imblearn.under_sampling.EditedNearestNeighbours( | 
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102 random_state=0, n_jobs=N_JOBS), | 
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103 imblearn.under_sampling.RepeatedEditedNearestNeighbours( | 
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104 random_state=0, n_jobs=N_JOBS), | 
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105 imblearn.under_sampling.AllKNN(random_state=0, n_jobs=N_JOBS), | 
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106 imblearn.under_sampling.InstanceHardnessThreshold( | 
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107 random_state=0, n_jobs=N_JOBS), | 
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108 imblearn.under_sampling.NearMiss( | 
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109 random_state=0, n_jobs=N_JOBS), | 
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110 imblearn.under_sampling.NeighbourhoodCleaningRule( | 
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111 random_state=0, n_jobs=N_JOBS), | 
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112 imblearn.under_sampling.OneSidedSelection( | 
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113 random_state=0, n_jobs=N_JOBS), | 
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114 imblearn.under_sampling.RandomUnderSampler( | 
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115 random_state=0), | 
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116 imblearn.under_sampling.TomekLinks( | 
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117 random_state=0, n_jobs=N_JOBS), | 
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118 imblearn.over_sampling.ADASYN(random_state=0, n_jobs=N_JOBS), | 
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119 imblearn.over_sampling.RandomOverSampler(random_state=0), | 
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120 imblearn.over_sampling.SMOTE(random_state=0, n_jobs=N_JOBS), | 
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121 imblearn.over_sampling.SVMSMOTE(random_state=0, n_jobs=N_JOBS), | 
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122 imblearn.over_sampling.BorderlineSMOTE( | 
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123 random_state=0, n_jobs=N_JOBS), | 
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124 imblearn.over_sampling.SMOTENC( | 
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125 categorical_features=[], random_state=0, n_jobs=N_JOBS), | 
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126 imblearn.combine.SMOTEENN(random_state=0), | 
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127 imblearn.combine.SMOTETomek(random_state=0)) | 
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128 newlist = [] | 
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129 for obj in ev: | 
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130 if obj is None: | 
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131 newlist.append(None) | 
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132 elif obj == 'all_0': | 
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133 newlist.extend(preprocessings[0:35]) | 
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134 elif obj == 'sk_prep_all': # no KernalCenter() | 
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135 newlist.extend(preprocessings[0:7]) | 
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136 elif obj == 'fs_all': | 
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137 newlist.extend(preprocessings[7:14]) | 
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138 elif obj == 'decomp_all': | 
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139 newlist.extend(preprocessings[14:25]) | 
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140 elif obj == 'k_appr_all': | 
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141 newlist.extend(preprocessings[25:29]) | 
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142 elif obj == 'reb_all': | 
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143 newlist.extend(preprocessings[30:35]) | 
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144 elif obj == 'imb_all': | 
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145 newlist.extend(preprocessings[35:54]) | 
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146 elif type(obj) is int and -1 < obj < len(preprocessings): | 
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147 newlist.append(preprocessings[obj]) | 
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148 elif hasattr(obj, 'get_params'): # user uploaded object | 
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149 if 'n_jobs' in obj.get_params(): | 
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150 newlist.append(obj.set_params(n_jobs=N_JOBS)) | 
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151 else: | 
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152 newlist.append(obj) | 
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153 else: | 
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154 sys.exit("Unsupported estimator type: %r" % (obj)) | 
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155 | 
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156 search_params[param_name] = newlist | 
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157 | 
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158 return search_params | 
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159 | 
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160 | 
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161 def _handle_X_y(estimator, params, infile1, infile2, loaded_df={}, | 
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162 ref_seq=None, intervals=None, targets=None, | 
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163 fasta_path=None): | 
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164 """read inputs | 
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165 | 
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166 Params | 
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167 ------- | 
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168 estimator : estimator object | 
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169 params : dict | 
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170 Galaxy tool parameter inputs | 
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171 infile1 : str | 
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172 File path to dataset containing features | 
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173 infile2 : str | 
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174 File path to dataset containing target values | 
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175 loaded_df : dict | 
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176 Contains loaded DataFrame objects with file path as keys | 
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177 ref_seq : str | 
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178 File path to dataset containing genome sequence file | 
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179 interval : str | 
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180 File path to dataset containing interval file | 
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181 targets : str | 
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182 File path to dataset compressed target bed file | 
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183 fasta_path : str | 
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184 File path to dataset containing fasta file | 
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185 | 
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186 | 
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187 Returns | 
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188 ------- | 
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189 estimator : estimator object after setting new attributes | 
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190 X : numpy array | 
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191 y : numpy array | 
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192 """ | 
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193 estimator_params = estimator.get_params() | 
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194 | 
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195 input_type = params['input_options']['selected_input'] | 
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196 # tabular input | 
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197 if input_type == 'tabular': | 
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198 header = 'infer' if params['input_options']['header1'] else None | 
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199 column_option = (params['input_options']['column_selector_options_1'] | 
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200 ['selected_column_selector_option']) | 
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201 if column_option in ['by_index_number', 'all_but_by_index_number', | 
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202 'by_header_name', 'all_but_by_header_name']: | 
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203 c = params['input_options']['column_selector_options_1']['col1'] | 
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204 else: | 
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205 c = None | 
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206 | 
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207 df_key = infile1 + repr(header) | 
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208 | 
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209 if df_key in loaded_df: | 
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210 infile1 = loaded_df[df_key] | 
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211 | 
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212 df = pd.read_csv(infile1, sep='\t', header=header, | 
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213 parse_dates=True) | 
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214 loaded_df[df_key] = df | 
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215 | 
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216 X = read_columns(df, c=c, c_option=column_option).astype(float) | 
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217 # sparse input | 
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218 elif input_type == 'sparse': | 
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219 X = mmread(open(infile1, 'r')) | 
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220 | 
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221 # fasta_file input | 
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222 elif input_type == 'seq_fasta': | 
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223 pyfaidx = get_module('pyfaidx') | 
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224 sequences = pyfaidx.Fasta(fasta_path) | 
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225 n_seqs = len(sequences.keys()) | 
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226 X = np.arange(n_seqs)[:, np.newaxis] | 
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227 for param in estimator_params.keys(): | 
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228 if param.endswith('fasta_path'): | 
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229 estimator.set_params( | 
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230 **{param: fasta_path}) | 
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231 break | 
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232 else: | 
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233 raise ValueError( | 
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234 "The selected estimator doesn't support " | 
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235 "fasta file input! Please consider using " | 
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236 "KerasGBatchClassifier with " | 
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237 "FastaDNABatchGenerator/FastaProteinBatchGenerator " | 
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238 "or having GenomeOneHotEncoder/ProteinOneHotEncoder " | 
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239 "in pipeline!") | 
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240 | 
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241 elif input_type == 'refseq_and_interval': | 
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242 path_params = { | 
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243 'data_batch_generator__ref_genome_path': ref_seq, | 
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244 'data_batch_generator__intervals_path': intervals, | 
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245 'data_batch_generator__target_path': targets | 
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246 } | 
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247 estimator.set_params(**path_params) | 
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248 n_intervals = sum(1 for line in open(intervals)) | 
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249 X = np.arange(n_intervals)[:, np.newaxis] | 
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250 | 
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251 # Get target y | 
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252 header = 'infer' if params['input_options']['header2'] else None | 
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253 column_option = (params['input_options']['column_selector_options_2'] | 
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254 ['selected_column_selector_option2']) | 
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255 if column_option in ['by_index_number', 'all_but_by_index_number', | 
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256 'by_header_name', 'all_but_by_header_name']: | 
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257 c = params['input_options']['column_selector_options_2']['col2'] | 
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258 else: | 
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259 c = None | 
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260 | 
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261 df_key = infile2 + repr(header) | 
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262 if df_key in loaded_df: | 
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263 infile2 = loaded_df[df_key] | 
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264 else: | 
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265 infile2 = pd.read_csv(infile2, sep='\t', | 
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266 header=header, parse_dates=True) | 
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267 loaded_df[df_key] = infile2 | 
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268 | 
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269 y = read_columns( | 
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270 infile2, | 
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271 c=c, | 
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272 c_option=column_option, | 
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273 sep='\t', | 
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274 header=header, | 
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275 parse_dates=True) | 
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276 if len(y.shape) == 2 and y.shape[1] == 1: | 
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277 y = y.ravel() | 
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278 if input_type == 'refseq_and_interval': | 
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279 estimator.set_params( | 
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280 data_batch_generator__features=y.ravel().tolist()) | 
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281 y = None | 
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282 # end y | 
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283 | 
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7
 
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284 return estimator, X, y | 
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285 | 
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286 | 
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287 def _do_outer_cv(searcher, X, y, outer_cv, scoring, error_score='raise', | 
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288 outfile=None): | 
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289 """Do outer cross-validation for nested CV | 
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290 | 
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291 Parameters | 
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292 ---------- | 
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293 searcher : object | 
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294 SearchCV object | 
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295 X : numpy array | 
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296 Containing features | 
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297 y : numpy array | 
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298 Target values or labels | 
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299 outer_cv : int or CV splitter | 
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300 Control the cv splitting | 
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301 scoring : object | 
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302 Scorer | 
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303 error_score: str, float or numpy float | 
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304 Whether to raise fit error or return an value | 
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305 outfile : str | 
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306 File path to store the restuls | 
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307 """ | 
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308 if error_score == 'raise': | 
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309 rval = cross_validate( | 
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310 searcher, X, y, scoring=scoring, | 
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311 cv=outer_cv, n_jobs=N_JOBS, verbose=0, | 
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312 error_score=error_score) | 
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313 else: | 
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314 warnings.simplefilter('always', FitFailedWarning) | 
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315 with warnings.catch_warnings(record=True) as w: | 
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316 try: | 
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317 rval = cross_validate( | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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318 searcher, X, y, | 
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319 scoring=scoring, | 
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320 cv=outer_cv, n_jobs=N_JOBS, | 
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321 verbose=0, | 
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322 error_score=error_score) | 
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323 except ValueError: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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324 pass | 
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325 for warning in w: | 
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326 print(repr(warning.message)) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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327 | 
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328 keys = list(rval.keys()) | 
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329 for k in keys: | 
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330 if k.startswith('test'): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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331 rval['mean_' + k] = np.mean(rval[k]) | 
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332 rval['std_' + k] = np.std(rval[k]) | 
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333 if k.endswith('time'): | 
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00819b7f2f55
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334 rval.pop(k) | 
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335 rval = pd.DataFrame(rval) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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336 rval = rval[sorted(rval.columns)] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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337 rval.to_csv(path_or_buf=outfile, sep='\t', header=True, index=False) | 
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338 | 
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339 | 
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340 def _do_train_test_split_val(searcher, X, y, params, error_score='raise', | 
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341 primary_scoring=None, groups=None, | 
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342 outfile=None): | 
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343 """ do train test split, searchCV validates on the train and then use | 
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344 the best_estimator_ to evaluate on the test | 
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345 | 
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346 Returns | 
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347 -------- | 
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348 Fitted SearchCV object | 
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349 """ | 
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350 train_test_split = try_get_attr( | 
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351 'galaxy_ml.model_validations', 'train_test_split') | 
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352 split_options = params['outer_split'] | 
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353 | 
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354 # splits | 
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355 if split_options['shuffle'] == 'stratified': | 
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00819b7f2f55
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356 split_options['labels'] = y | 
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357 X, X_test, y, y_test = train_test_split(X, y, **split_options) | 
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00819b7f2f55
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358 elif split_options['shuffle'] == 'group': | 
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359 if groups is None: | 
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360 raise ValueError("No group based CV option was choosen for " | 
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361 "group shuffle!") | 
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362 split_options['labels'] = groups | 
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363 if y is None: | 
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364 X, X_test, groups, _ =\ | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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365 train_test_split(X, groups, **split_options) | 
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00819b7f2f55
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366 else: | 
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367 X, X_test, y, y_test, groups, _ =\ | 
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368 train_test_split(X, y, groups, **split_options) | 
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00819b7f2f55
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369 else: | 
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00819b7f2f55
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370 if split_options['shuffle'] == 'None': | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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371 split_options['shuffle'] = None | 
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372 X, X_test, y, y_test =\ | 
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373 train_test_split(X, y, **split_options) | 
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374 | 
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375 if error_score == 'raise': | 
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376 searcher.fit(X, y, groups=groups) | 
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377 else: | 
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378 warnings.simplefilter('always', FitFailedWarning) | 
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379 with warnings.catch_warnings(record=True) as w: | 
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380 try: | 
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381 searcher.fit(X, y, groups=groups) | 
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382 except ValueError: | 
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383 pass | 
| 
 
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384 for warning in w: | 
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385 print(repr(warning.message)) | 
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386 | 
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387 scorer_ = searcher.scorer_ | 
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388 if isinstance(scorer_, collections.Mapping): | 
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389 is_multimetric = True | 
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390 else: | 
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391 is_multimetric = False | 
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392 | 
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393 best_estimator_ = getattr(searcher, 'best_estimator_') | 
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00819b7f2f55
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394 | 
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395 # TODO Solve deep learning models in pipeline | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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396 if best_estimator_.__class__.__name__ == 'KerasGBatchClassifier': | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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397 test_score = best_estimator_.evaluate( | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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398 X_test, scorer=scorer_, is_multimetric=is_multimetric) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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399 else: | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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400 test_score = _score(best_estimator_, X_test, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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401 y_test, scorer_, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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402 is_multimetric=is_multimetric) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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403 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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404 if not is_multimetric: | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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405 test_score = {primary_scoring: test_score} | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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406 for key, value in test_score.items(): | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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407 test_score[key] = [value] | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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408 result_df = pd.DataFrame(test_score) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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409 result_df.to_csv(path_or_buf=outfile, sep='\t', header=True, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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410 index=False) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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411 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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412 return searcher | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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413 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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414 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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415 def main(inputs, infile_estimator, infile1, infile2, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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416 outfile_result, outfile_object=None, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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417 outfile_weights=None, groups=None, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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418 ref_seq=None, intervals=None, targets=None, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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419 fasta_path=None): | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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420 """ | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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421 Parameter | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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422 --------- | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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423 inputs : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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424 File path to galaxy tool parameter | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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425 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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426 infile_estimator : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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427 File path to estimator | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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428 | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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429 infile1 : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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430 File path to dataset containing features | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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431 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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432 infile2 : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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433 File path to dataset containing target values | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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434 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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435 outfile_result : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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436 File path to save the results, either cv_results or test result | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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437 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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438 outfile_object : str, optional | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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439 File path to save searchCV object | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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440 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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441 outfile_weights : str, optional | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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442 File path to save model weights | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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443 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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444 groups : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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445 File path to dataset containing groups labels | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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446 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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447 ref_seq : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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448 File path to dataset containing genome sequence file | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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449 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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450 intervals : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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451 File path to dataset containing interval file | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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452 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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453 targets : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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454 File path to dataset compressed target bed file | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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455 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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456 fasta_path : str | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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457 File path to dataset containing fasta file | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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458 """ | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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459 warnings.simplefilter('ignore') | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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460 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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461 # store read dataframe object | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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462 loaded_df = {} | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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463 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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464 with open(inputs, 'r') as param_handler: | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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465 params = json.load(param_handler) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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466 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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467 # Override the refit parameter | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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468 params['search_schemes']['options']['refit'] = True \ | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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469 if params['save'] != 'nope' else False | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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470 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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471 with open(infile_estimator, 'rb') as estimator_handler: | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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472 estimator = load_model(estimator_handler) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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473 | 
| 
0
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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474 optimizer = params['search_schemes']['selected_search_scheme'] | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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475 optimizer = getattr(model_selection, optimizer) | 
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476 | 
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2
 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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477 # handle gridsearchcv options | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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478 options = params['search_schemes']['options'] | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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479 | 
| 
2
 
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480 if groups: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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481 header = 'infer' if (options['cv_selector']['groups_selector'] | 
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482 ['header_g']) else None | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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483 column_option = (options['cv_selector']['groups_selector'] | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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484 ['column_selector_options_g'] | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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485 ['selected_column_selector_option_g']) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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486 if column_option in ['by_index_number', 'all_but_by_index_number', | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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487 'by_header_name', 'all_but_by_header_name']: | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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488 c = (options['cv_selector']['groups_selector'] | 
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489 ['column_selector_options_g']['col_g']) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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490 else: | 
| 
 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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491 c = None | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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492 | 
| 
 
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493 df_key = groups + repr(header) | 
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494 | 
| 
 
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495 groups = pd.read_csv(groups, sep='\t', header=header, | 
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496 parse_dates=True) | 
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497 loaded_df[df_key] = groups | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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498 | 
| 
 
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499 groups = read_columns( | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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500 groups, | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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501 c=c, | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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502 c_option=column_option, | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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503 sep='\t', | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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504 header=header, | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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505 parse_dates=True) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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506 groups = groups.ravel() | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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507 options['cv_selector']['groups_selector'] = groups | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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508 | 
| 
0
 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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509 splitter, groups = get_cv(options.pop('cv_selector')) | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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510 options['cv'] = splitter | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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511 primary_scoring = options['scoring']['primary_scoring'] | 
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47467890f541
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512 options['scoring'] = get_scoring(options['scoring']) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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513 if options['error_score']: | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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514 options['error_score'] = 'raise' | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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515 else: | 
| 
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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516 options['error_score'] = np.NaN | 
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517 if options['refit'] and isinstance(options['scoring'], dict): | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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518 options['refit'] = primary_scoring | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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519 if 'pre_dispatch' in options and options['pre_dispatch'] == '': | 
| 
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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520 options['pre_dispatch'] = None | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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521 | 
| 
7
 
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522 params_builder = params['search_schemes']['search_params_builder'] | 
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523 param_grid = _eval_search_params(params_builder) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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524 | 
| 
 
00819b7f2f55
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525 estimator = clean_params(estimator) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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526 | 
| 
7
 
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527 # save the SearchCV object without fit | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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528 if params['save'] == 'save_no_fit': | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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529 searcher = optimizer(estimator, param_grid, **options) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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530 print(searcher) | 
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531 with open(outfile_object, 'wb') as output_handler: | 
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532 pickle.dump(searcher, output_handler, | 
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533 pickle.HIGHEST_PROTOCOL) | 
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534 return 0 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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535 | 
| 
 
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536 # read inputs and loads new attributes, like paths | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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537 estimator, X, y = _handle_X_y(estimator, params, infile1, infile2, | 
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538 loaded_df=loaded_df, ref_seq=ref_seq, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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539 intervals=intervals, targets=targets, | 
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540 fasta_path=fasta_path) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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 | 
541 | 
| 
0
 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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542 # cache iraps_core fits could increase search speed significantly | 
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543 memory = joblib.Memory(location=CACHE_DIR, verbose=0) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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544 main_est = get_main_estimator(estimator) | 
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545 if main_est.__class__.__name__ == 'IRAPSClassifier': | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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546 main_est.set_params(memory=memory) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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547 | 
| 
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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548 searcher = optimizer(estimator, param_grid, **options) | 
| 
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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549 | 
| 
2
 
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550 split_mode = params['outer_split'].pop('split_mode') | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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551 | 
| 
2
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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552 if split_mode == 'nested_cv': | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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553 # make sure refit is choosen | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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554 # this could be True for sklearn models, but not the case for | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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555 # deep learning models | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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556 if not options['refit'] and \ | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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557 not all(hasattr(estimator, attr) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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558 for attr in ('config', 'model_type')): | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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559 warnings.warn("Refit is change to `True` for nested validation!") | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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560 setattr(searcher, 'refit', True) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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561 | 
| 
2
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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562 outer_cv, _ = get_cv(params['outer_split']['cv_selector']) | 
| 
7
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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563 # nested CV, outer cv using cross_validate | 
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2
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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564 if options['error_score'] == 'raise': | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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565 rval = cross_validate( | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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566 searcher, X, y, scoring=options['scoring'], | 
| 
7
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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567 cv=outer_cv, n_jobs=N_JOBS, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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568 verbose=options['verbose'], | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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569 return_estimator=(params['save'] == 'save_estimator'), | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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570 error_score=options['error_score'], | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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571 return_train_score=True) | 
| 
0
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
bgruening 
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572 else: | 
| 
2
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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573 warnings.simplefilter('always', FitFailedWarning) | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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574 with warnings.catch_warnings(record=True) as w: | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
bgruening 
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575 try: | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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576 rval = cross_validate( | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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577 searcher, X, y, | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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578 scoring=options['scoring'], | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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579 cv=outer_cv, n_jobs=N_JOBS, | 
| 
7
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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580 verbose=options['verbose'], | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
parents: 
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diff
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581 return_estimator=(params['save'] == 'save_estimator'), | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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582 error_score=options['error_score'], | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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583 return_train_score=True) | 
| 
2
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
bgruening 
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 | 
584 except ValueError: | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
bgruening 
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585 pass | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
bgruening 
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 | 
586 for warning in w: | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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587 print(repr(warning.message)) | 
| 
0
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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588 | 
| 
7
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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589 fitted_searchers = rval.pop('estimator', []) | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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590 if fitted_searchers: | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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591 import os | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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592 pwd = os.getcwd() | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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593 save_dir = os.path.join(pwd, 'cv_results_in_folds') | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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 | 
594 try: | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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595 os.mkdir(save_dir) | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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596 for idx, obj in enumerate(fitted_searchers): | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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597 target_name = 'cv_results_' + '_' + 'split%d' % idx | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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598 target_path = os.path.join(pwd, save_dir, target_name) | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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599 cv_results_ = getattr(obj, 'cv_results_', None) | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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600 if not cv_results_: | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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601 print("%s is not available" % target_name) | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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602 continue | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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603 cv_results_ = pd.DataFrame(cv_results_) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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604 cv_results_ = cv_results_[sorted(cv_results_.columns)] | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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605 cv_results_.to_csv(target_path, sep='\t', header=True, | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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606 index=False) | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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607 except Exception as e: | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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608 print(e) | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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 | 
609 finally: | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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610 del os | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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 | 
611 | 
| 
2
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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612 keys = list(rval.keys()) | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
bgruening 
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 | 
613 for k in keys: | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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 | 
614 if k.startswith('test'): | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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 | 
615 rval['mean_' + k] = np.mean(rval[k]) | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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616 rval['std_' + k] = np.std(rval[k]) | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
bgruening 
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617 if k.endswith('time'): | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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618 rval.pop(k) | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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 | 
619 rval = pd.DataFrame(rval) | 
| 
 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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620 rval = rval[sorted(rval.columns)] | 
| 
7
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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621 rval.to_csv(path_or_buf=outfile_result, sep='\t', header=True, | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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622 index=False) | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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 | 
623 | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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624 return 0 | 
| 
0
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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 | 
625 | 
| 
7
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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 | 
626 # deprecate train test split mode | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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 | 
627 """searcher = _do_train_test_split_val( | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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628 searcher, X, y, params, | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
bgruening 
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 | 
629 primary_scoring=primary_scoring, | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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630 error_score=options['error_score'], | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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631 groups=groups, | 
| 
 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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632 outfile=outfile_result)""" | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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633 | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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634 # no outer split | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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635 else: | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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636 searcher.set_params(n_jobs=N_JOBS) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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637 if options['error_score'] == 'raise': | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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638 searcher.fit(X, y, groups=groups) | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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639 else: | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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640 warnings.simplefilter('always', FitFailedWarning) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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641 with warnings.catch_warnings(record=True) as w: | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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642 try: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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643 searcher.fit(X, y, groups=groups) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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644 except ValueError: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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645 pass | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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646 for warning in w: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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647 print(repr(warning.message)) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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648 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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649 cv_results = pd.DataFrame(searcher.cv_results_) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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650 cv_results = cv_results[sorted(cv_results.columns)] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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651 cv_results.to_csv(path_or_buf=outfile_result, sep='\t', | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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652 header=True, index=False) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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653 | 
| 
 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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654 memory.clear(warn=False) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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655 | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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656 # output best estimator, and weights if applicable | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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657 if outfile_object: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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658 best_estimator_ = getattr(searcher, 'best_estimator_', None) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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659 if not best_estimator_: | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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660 warnings.warn("GridSearchCV object has no attribute " | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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661 "'best_estimator_', because either it's " | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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662 "nested gridsearch or `refit` is False!") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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663 return | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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664 | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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665 # clean prams | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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666 best_estimator_ = clean_params(best_estimator_) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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667 | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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668 main_est = get_main_estimator(best_estimator_) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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669 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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670 if hasattr(main_est, 'model_') \ | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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671 and hasattr(main_est, 'save_weights'): | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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672 if outfile_weights: | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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673 main_est.save_weights(outfile_weights) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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674 del main_est.model_ | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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675 del main_est.fit_params | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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676 del main_est.model_class_ | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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677 del main_est.validation_data | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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678 if getattr(main_est, 'data_generator_', None): | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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679 del main_est.data_generator_ | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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680 | 
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0
 
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681 with open(outfile_object, 'wb') as output_handler: | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 
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682 print("Best estimator is saved: %s " % repr(best_estimator_)) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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683 pickle.dump(best_estimator_, output_handler, | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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684 pickle.HIGHEST_PROTOCOL) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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685 | 
| 
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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686 | 
| 
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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687 if __name__ == '__main__': | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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688 aparser = argparse.ArgumentParser() | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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689 aparser.add_argument("-i", "--inputs", dest="inputs", required=True) | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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690 aparser.add_argument("-e", "--estimator", dest="infile_estimator") | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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691 aparser.add_argument("-X", "--infile1", dest="infile1") | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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692 aparser.add_argument("-y", "--infile2", dest="infile2") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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693 aparser.add_argument("-O", "--outfile_result", dest="outfile_result") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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694 aparser.add_argument("-o", "--outfile_object", dest="outfile_object") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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695 aparser.add_argument("-w", "--outfile_weights", dest="outfile_weights") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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696 aparser.add_argument("-g", "--groups", dest="groups") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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697 aparser.add_argument("-r", "--ref_seq", dest="ref_seq") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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698 aparser.add_argument("-b", "--intervals", dest="intervals") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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699 aparser.add_argument("-t", "--targets", dest="targets") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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700 aparser.add_argument("-f", "--fasta_path", dest="fasta_path") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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701 args = aparser.parse_args() | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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702 | 
| 
 
47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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703 main(args.inputs, args.infile_estimator, args.infile1, args.infile2, | 
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47467890f541
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
 
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704 args.outfile_result, outfile_object=args.outfile_object, | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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705 outfile_weights=args.outfile_weights, groups=args.groups, | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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706 ref_seq=args.ref_seq, intervals=args.intervals, | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 
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707 targets=args.targets, fasta_path=args.fasta_path) | 
