Mercurial > repos > bgruening > sklearn_stacking_ensemble_models
annotate keras_train_and_eval.py @ 10:2d890789ac48 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
| author | bgruening | 
|---|---|
| date | Tue, 13 Apr 2021 21:46:25 +0000 | 
| parents | b8c92e94ac1d | 
| children | 0380f10c4e04 | 
| rev | line source | 
|---|---|
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 1 import argparse | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 2 import json | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 3 import os | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 4 import pickle | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 5 import warnings | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 6 from itertools import chain | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 7 | 
| 10 
2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 8 import joblib | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 9 import numpy as np | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 10 import pandas as pd | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 11 from galaxy_ml.externals.selene_sdk.utils import compute_score | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 12 from galaxy_ml.keras_galaxy_models import _predict_generator | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 13 from galaxy_ml.model_validations import train_test_split | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 14 from galaxy_ml.utils import ( | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 15 clean_params, | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 16 get_main_estimator, | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 17 get_module, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 18 get_scoring, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 19 load_model, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 20 read_columns, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 21 SafeEval, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 22 try_get_attr, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 23 ) | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 24 from scipy.io import mmread | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 25 from sklearn.metrics.scorer import _check_multimetric_scoring | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 26 from sklearn.model_selection import _search, _validation | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 27 from sklearn.model_selection._validation import _score | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 28 from sklearn.pipeline import Pipeline | 
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2d890789ac48
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 29 from sklearn.utils import indexable, safe_indexing | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 30 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 31 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 32 _fit_and_score = try_get_attr("galaxy_ml.model_validations", "_fit_and_score") | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 33 setattr(_search, "_fit_and_score", _fit_and_score) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 34 setattr(_validation, "_fit_and_score", _fit_and_score) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 35 | 
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changeset | 36 N_JOBS = int(os.environ.get("GALAXY_SLOTS", 1)) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 37 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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changeset | 38 del os | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 39 NON_SEARCHABLE = ("n_jobs", "pre_dispatch", "memory", "_path", "nthread", "callbacks") | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 40 ALLOWED_CALLBACKS = ( | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 41 "EarlyStopping", | 
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changeset | 42 "TerminateOnNaN", | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 43 "ReduceLROnPlateau", | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 44 "CSVLogger", | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 45 "None", | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 46 ) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 47 | 
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changeset | 48 | 
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changeset | 49 def _eval_swap_params(params_builder): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 50 swap_params = {} | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 51 | 
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changeset | 52 for p in params_builder["param_set"]: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 53 swap_value = p["sp_value"].strip() | 
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changeset | 54 if swap_value == "": | 
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changeset | 55 continue | 
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changeset | 56 | 
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changeset | 57 param_name = p["sp_name"] | 
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changeset | 58 if param_name.lower().endswith(NON_SEARCHABLE): | 
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changeset | 59 warnings.warn("Warning: `%s` is not eligible for search and was " "omitted!" % param_name) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 60 continue | 
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changeset | 61 | 
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changeset | 62 if not swap_value.startswith(":"): | 
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changeset | 63 safe_eval = SafeEval(load_scipy=True, load_numpy=True) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 64 ev = safe_eval(swap_value) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 65 else: | 
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changeset | 66 # Have `:` before search list, asks for estimator evaluatio | 
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changeset | 67 safe_eval_es = SafeEval(load_estimators=True) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 68 swap_value = swap_value[1:].strip() | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 69 # TODO maybe add regular express check | 
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changeset | 70 ev = safe_eval_es(swap_value) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 71 | 
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changeset | 72 swap_params[param_name] = ev | 
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changeset | 73 | 
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changeset | 74 return swap_params | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 75 | 
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changeset | 76 | 
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changeset | 77 def train_test_split_none(*arrays, **kwargs): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 78 """extend train_test_split to take None arrays | 
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changeset | 79 and support split by group names. | 
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changeset | 80 """ | 
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changeset | 81 nones = [] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 82 new_arrays = [] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 83 for idx, arr in enumerate(arrays): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 84 if arr is None: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 85 nones.append(idx) | 
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changeset | 86 else: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 87 new_arrays.append(arr) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 88 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 89 if kwargs["shuffle"] == "None": | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 90 kwargs["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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changeset | 91 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 92 group_names = kwargs.pop("group_names", None) | 
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changeset | 93 | 
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changeset | 94 if group_names is not None and group_names.strip(): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 95 group_names = [name.strip() for name in group_names.split(",")] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 96 new_arrays = indexable(*new_arrays) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 97 groups = kwargs["labels"] | 
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changeset | 98 n_samples = new_arrays[0].shape[0] | 
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changeset | 99 index_arr = np.arange(n_samples) | 
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changeset | 100 test = index_arr[np.isin(groups, group_names)] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 101 train = index_arr[~np.isin(groups, group_names)] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 102 rval = list(chain.from_iterable((safe_indexing(a, train), safe_indexing(a, test)) for a in new_arrays)) | 
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changeset | 103 else: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 104 rval = train_test_split(*new_arrays, **kwargs) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 105 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 106 for pos in nones: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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changeset | 107 rval[pos * 2: 2] = [None, None] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 108 | 
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changeset | 109 return rval | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 110 | 
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changeset | 111 | 
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changeset | 112 def _evaluate(y_true, pred_probas, scorer, is_multimetric=True): | 
| 9 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 113 """output scores based on input scorer | 
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changeset | 114 | 
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changeset | 115 Parameters | 
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changeset | 116 ---------- | 
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changeset | 117 y_true : array | 
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changeset | 118 True label or target values | 
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changeset | 119 pred_probas : array | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 120 Prediction values, probability for classification problem | 
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changeset | 121 scorer : dict | 
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changeset | 122 dict of `sklearn.metrics.scorer.SCORER` | 
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changeset | 123 is_multimetric : bool, default is True | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 124 """ | 
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changeset | 125 if y_true.ndim == 1 or y_true.shape[-1] == 1: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 126 pred_probas = pred_probas.ravel() | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 127 pred_labels = (pred_probas > 0.5).astype("int32") | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 128 targets = y_true.ravel().astype("int32") | 
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changeset | 129 if not is_multimetric: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 130 preds = pred_labels if scorer.__class__.__name__ == "_PredictScorer" else pred_probas | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 131 score = scorer._score_func(targets, preds, **scorer._kwargs) | 
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changeset | 132 | 
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changeset | 133 return score | 
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changeset | 134 else: | 
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changeset | 135 scores = {} | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 136 for name, one_scorer in scorer.items(): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 137 preds = pred_labels if one_scorer.__class__.__name__ == "_PredictScorer" else pred_probas | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 138 score = one_scorer._score_func(targets, preds, **one_scorer._kwargs) | 
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changeset | 139 scores[name] = score | 
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changeset | 140 | 
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changeset | 141 # TODO: multi-class metrics | 
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changeset | 142 # multi-label | 
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changeset | 143 else: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 144 pred_labels = (pred_probas > 0.5).astype("int32") | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 145 targets = y_true.astype("int32") | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 146 if not is_multimetric: | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 147 preds = pred_labels if scorer.__class__.__name__ == "_PredictScorer" else pred_probas | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 148 score, _ = compute_score(preds, targets, scorer._score_func) | 
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changeset | 149 return score | 
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changeset | 150 else: | 
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changeset | 151 scores = {} | 
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changeset | 152 for name, one_scorer in scorer.items(): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 153 preds = pred_labels if one_scorer.__class__.__name__ == "_PredictScorer" else pred_probas | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 154 score, _ = compute_score(preds, targets, one_scorer._score_func) | 
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changeset | 155 scores[name] = score | 
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changeset | 156 | 
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changeset | 157 return scores | 
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changeset | 158 | 
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changeset | 159 | 
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changeset | 160 def main( | 
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changeset | 161 inputs, | 
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changeset | 162 infile_estimator, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 163 infile1, | 
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changeset | 164 infile2, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 165 outfile_result, | 
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changeset | 166 outfile_object=None, | 
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changeset | 167 outfile_weights=None, | 
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changeset | 168 outfile_y_true=None, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 169 outfile_y_preds=None, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 170 groups=None, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 171 ref_seq=None, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 172 intervals=None, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 173 targets=None, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 174 fasta_path=None, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 175 ): | 
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changeset | 176 """ | 
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changeset | 177 Parameter | 
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changeset | 178 --------- | 
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changeset | 179 inputs : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 180 File path to galaxy tool parameter | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 181 | 
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changeset | 182 infile_estimator : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 183 File path to estimator | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 184 | 
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changeset | 185 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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changeset | 186 File path to dataset containing features | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 187 | 
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changeset | 188 infile2 : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 189 File path to dataset containing target values | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 190 | 
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changeset | 191 outfile_result : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 192 File path to save the results, either cv_results or test result | 
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changeset | 193 | 
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changeset | 194 outfile_object : str, optional | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 195 File path to save searchCV object | 
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changeset | 196 | 
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changeset | 197 outfile_weights : str, optional | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 198 File path to save deep learning model weights | 
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changeset | 199 | 
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changeset | 200 outfile_y_true : str, optional | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 201 File path to target values for prediction | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 202 | 
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changeset | 203 outfile_y_preds : str, optional | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 204 File path to save deep learning model weights | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 205 | 
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changeset | 206 groups : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 207 File path to dataset containing groups labels | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 208 | 
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changeset | 209 ref_seq : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 210 File path to dataset containing genome sequence file | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 211 | 
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changeset | 212 intervals : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 213 File path to dataset containing interval file | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 214 | 
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changeset | 215 targets : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 216 File path to dataset compressed target bed file | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 217 | 
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changeset | 218 fasta_path : str | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 219 File path to dataset containing fasta file | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 220 """ | 
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changeset | 221 warnings.simplefilter("ignore") | 
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changeset | 222 | 
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changeset | 223 with open(inputs, "r") as param_handler: | 
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changeset | 224 params = json.load(param_handler) | 
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changeset | 225 | 
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changeset | 226 # load estimator | 
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changeset | 227 with open(infile_estimator, "rb") as estimator_handler: | 
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changeset | 228 estimator = load_model(estimator_handler) | 
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changeset | 229 | 
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changeset | 230 estimator = clean_params(estimator) | 
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changeset | 231 | 
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changeset | 232 # swap hyperparameter | 
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changeset | 233 swapping = params["experiment_schemes"]["hyperparams_swapping"] | 
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changeset | 234 swap_params = _eval_swap_params(swapping) | 
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changeset | 235 estimator.set_params(**swap_params) | 
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changeset | 236 | 
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changeset | 237 estimator_params = estimator.get_params() | 
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changeset | 238 | 
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changeset | 239 # store read dataframe object | 
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changeset | 240 loaded_df = {} | 
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changeset | 241 | 
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changeset | 242 input_type = params["input_options"]["selected_input"] | 
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changeset | 243 # tabular input | 
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changeset | 244 if input_type == "tabular": | 
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changeset | 245 header = "infer" if params["input_options"]["header1"] else None | 
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changeset | 246 column_option = params["input_options"]["column_selector_options_1"]["selected_column_selector_option"] | 
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changeset | 247 if column_option in [ | 
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changeset | 248 "by_index_number", | 
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changeset | 249 "all_but_by_index_number", | 
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changeset | 250 "by_header_name", | 
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changeset | 251 "all_but_by_header_name", | 
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changeset | 252 ]: | 
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changeset | 253 c = params["input_options"]["column_selector_options_1"]["col1"] | 
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changeset | 254 else: | 
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changeset | 255 c = None | 
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changeset | 256 | 
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changeset | 257 df_key = infile1 + repr(header) | 
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changeset | 258 df = pd.read_csv(infile1, sep="\t", header=header, parse_dates=True) | 
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changeset | 259 loaded_df[df_key] = df | 
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changeset | 260 | 
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changeset | 261 X = read_columns(df, c=c, c_option=column_option).astype(float) | 
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changeset | 262 # sparse input | 
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changeset | 263 elif input_type == "sparse": | 
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changeset | 264 X = mmread(open(infile1, "r")) | 
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changeset | 265 | 
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changeset | 266 # fasta_file input | 
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changeset | 267 elif input_type == "seq_fasta": | 
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changeset | 268 pyfaidx = get_module("pyfaidx") | 
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changeset | 269 sequences = pyfaidx.Fasta(fasta_path) | 
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changeset | 270 n_seqs = len(sequences.keys()) | 
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changeset | 271 X = np.arange(n_seqs)[:, np.newaxis] | 
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changeset | 272 for param in estimator_params.keys(): | 
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changeset | 273 if param.endswith("fasta_path"): | 
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changeset | 274 estimator.set_params(**{param: fasta_path}) | 
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changeset | 275 break | 
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changeset | 276 else: | 
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changeset | 277 raise ValueError( | 
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changeset | 278 "The selected estimator doesn't support " | 
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changeset | 279 "fasta file input! Please consider using " | 
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changeset | 280 "KerasGBatchClassifier with " | 
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changeset | 281 "FastaDNABatchGenerator/FastaProteinBatchGenerator " | 
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changeset | 282 "or having GenomeOneHotEncoder/ProteinOneHotEncoder " | 
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changeset | 283 "in pipeline!" | 
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changeset | 284 ) | 
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changeset | 285 | 
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changeset | 286 elif input_type == "refseq_and_interval": | 
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changeset | 287 path_params = { | 
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changeset | 288 "data_batch_generator__ref_genome_path": ref_seq, | 
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changeset | 289 "data_batch_generator__intervals_path": intervals, | 
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changeset | 290 "data_batch_generator__target_path": targets, | 
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changeset | 291 } | 
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changeset | 292 estimator.set_params(**path_params) | 
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changeset | 293 n_intervals = sum(1 for line in open(intervals)) | 
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changeset | 294 X = np.arange(n_intervals)[:, np.newaxis] | 
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changeset | 295 | 
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changeset | 296 # Get target y | 
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changeset | 297 header = "infer" if params["input_options"]["header2"] else None | 
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changeset | 298 column_option = params["input_options"]["column_selector_options_2"]["selected_column_selector_option2"] | 
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changeset | 299 if column_option in [ | 
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changeset | 300 "by_index_number", | 
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changeset | 301 "all_but_by_index_number", | 
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changeset | 302 "by_header_name", | 
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changeset | 303 "all_but_by_header_name", | 
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changeset | 304 ]: | 
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changeset | 305 c = params["input_options"]["column_selector_options_2"]["col2"] | 
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changeset | 306 else: | 
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changeset | 307 c = None | 
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changeset | 308 | 
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changeset | 309 df_key = infile2 + repr(header) | 
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changeset | 310 if df_key in loaded_df: | 
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changeset | 311 infile2 = loaded_df[df_key] | 
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changeset | 312 else: | 
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changeset | 313 infile2 = pd.read_csv(infile2, sep="\t", header=header, parse_dates=True) | 
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changeset | 314 loaded_df[df_key] = infile2 | 
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changeset | 315 | 
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changeset | 316 y = read_columns(infile2, | 
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changeset | 317 c=c, | 
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changeset | 318 c_option=column_option, | 
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changeset | 319 sep='\t', | 
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changeset | 320 header=header, | 
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changeset | 321 parse_dates=True) | 
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changeset | 322 if len(y.shape) == 2 and y.shape[1] == 1: | 
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changeset | 323 y = y.ravel() | 
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changeset | 324 if input_type == "refseq_and_interval": | 
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changeset | 325 estimator.set_params(data_batch_generator__features=y.ravel().tolist()) | 
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changeset | 326 y = None | 
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changeset | 327 # end y | 
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changeset | 328 | 
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changeset | 329 # load groups | 
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changeset | 330 if groups: | 
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changeset | 331 groups_selector = (params["experiment_schemes"]["test_split"]["split_algos"]).pop("groups_selector") | 
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changeset | 332 | 
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changeset | 333 header = "infer" if groups_selector["header_g"] else None | 
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changeset | 334 column_option = groups_selector["column_selector_options_g"]["selected_column_selector_option_g"] | 
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changeset | 335 if column_option in [ | 
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changeset | 336 "by_index_number", | 
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changeset | 337 "all_but_by_index_number", | 
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changeset | 338 "by_header_name", | 
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changeset | 339 "all_but_by_header_name", | 
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changeset | 340 ]: | 
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changeset | 341 c = groups_selector["column_selector_options_g"]["col_g"] | 
| 7 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 342 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 343 c = None | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 344 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 345 df_key = groups + repr(header) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 346 if df_key in loaded_df: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 347 groups = loaded_df[df_key] | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 348 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 349 groups = read_columns(groups, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 350 c=c, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 351 c_option=column_option, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 352 sep='\t', | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 353 header=header, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 354 parse_dates=True) | 
| 7 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 355 groups = groups.ravel() | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 356 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 357 # del loaded_df | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 358 del loaded_df | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 359 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 360 # cache iraps_core fits could increase search speed significantly | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 361 memory = joblib.Memory(location=CACHE_DIR, verbose=0) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 362 main_est = get_main_estimator(estimator) | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 363 if main_est.__class__.__name__ == "IRAPSClassifier": | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 364 main_est.set_params(memory=memory) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 365 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 366 # handle scorer, convert to scorer dict | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 367 scoring = params['experiment_schemes']['metrics']['scoring'] | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 368 if scoring is not None: | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 369 # get_scoring() expects secondary_scoring to be a comma separated string (not a list) | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 370 # Check if secondary_scoring is specified | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 371 secondary_scoring = scoring.get("secondary_scoring", None) | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 372 if secondary_scoring is not None: | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 373 # If secondary_scoring is specified, convert the list into comman separated string | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 374 scoring["secondary_scoring"] = ",".join(scoring["secondary_scoring"]) | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 375 | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 376 scorer = get_scoring(scoring) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 377 scorer, _ = _check_multimetric_scoring(estimator, scoring=scorer) | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 378 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 379 # handle test (first) split | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 380 test_split_options = params["experiment_schemes"]["test_split"]["split_algos"] | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 381 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 382 if test_split_options["shuffle"] == "group": | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 383 test_split_options["labels"] = groups | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 384 if test_split_options["shuffle"] == "stratified": | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 385 if y is not None: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 386 test_split_options["labels"] = y | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 387 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 388 raise ValueError("Stratified shuffle split is not " "applicable on empty target values!") | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 389 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 390 ( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 391 X_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 392 X_test, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 393 y_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 394 y_test, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 395 groups_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 396 _groups_test, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 397 ) = train_test_split_none(X, y, groups, **test_split_options) | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 398 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 399 exp_scheme = params["experiment_schemes"]["selected_exp_scheme"] | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 400 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 401 # handle validation (second) split | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 402 if exp_scheme == "train_val_test": | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 403 val_split_options = params["experiment_schemes"]["val_split"]["split_algos"] | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 404 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 405 if val_split_options["shuffle"] == "group": | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 406 val_split_options["labels"] = groups_train | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 407 if val_split_options["shuffle"] == "stratified": | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 408 if y_train is not None: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 409 val_split_options["labels"] = y_train | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 410 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 411 raise ValueError("Stratified shuffle split is not " "applicable on empty target values!") | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 412 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 413 ( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 414 X_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 415 X_val, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 416 y_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 417 y_val, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 418 groups_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 419 _groups_val, | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 420 ) = train_test_split_none(X_train, y_train, groups_train, **val_split_options) | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 421 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 422 # train and eval | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 423 if hasattr(estimator, "validation_data"): | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 424 if exp_scheme == "train_val_test": | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 425 estimator.fit(X_train, y_train, validation_data=(X_val, y_val)) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 426 else: | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 427 estimator.fit(X_train, y_train, validation_data=(X_test, y_test)) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 428 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 429 estimator.fit(X_train, y_train) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 430 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 431 if hasattr(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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changeset | 432 steps = estimator.prediction_steps | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 433 batch_size = estimator.batch_size | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 434 generator = estimator.data_generator_.flow(X_test, y=y_test, batch_size=batch_size) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 435 predictions, y_true = _predict_generator(estimator.model_, generator, steps=steps) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 436 scores = _evaluate(y_true, predictions, scorer, is_multimetric=True) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 437 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 438 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 439 if hasattr(estimator, "predict_proba"): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 440 predictions = estimator.predict_proba(X_test) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 441 else: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 442 predictions = estimator.predict(X_test) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 443 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 444 y_true = y_test | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 445 scores = _score(estimator, X_test, y_test, scorer, is_multimetric=True) | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 446 if outfile_y_true: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 447 try: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 448 pd.DataFrame(y_true).to_csv(outfile_y_true, sep="\t", index=False) | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 449 pd.DataFrame(predictions).astype(np.float32).to_csv( | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 450 outfile_y_preds, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 451 sep="\t", | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 452 index=False, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 453 float_format="%g", | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 454 chunksize=10000, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 455 ) | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 456 except Exception as e: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 457 print("Error in saving predictions: %s" % e) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 458 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 459 # handle output | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 460 for name, score in scores.items(): | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 461 scores[name] = [score] | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 462 df = pd.DataFrame(scores) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 463 df = df[sorted(df.columns)] | 
| 9 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 464 df.to_csv(path_or_buf=outfile_result, sep="\t", header=True, index=False) | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 465 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 466 memory.clear(warn=False) | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 467 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 468 if outfile_object: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 469 main_est = estimator | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 470 if isinstance(estimator, Pipeline): | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 471 main_est = estimator.steps[-1][-1] | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 472 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 473 if hasattr(main_est, "model_") and hasattr(main_est, "save_weights"): | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 474 if outfile_weights: | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 475 main_est.save_weights(outfile_weights) | 
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00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 476 del main_est.model_ | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 477 del main_est.fit_params | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 478 del main_est.model_class_ | 
| 9 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 479 if getattr(main_est, "validation_data", None): | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 480 del main_est.validation_data | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 481 if getattr(main_est, "data_generator_", None): | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 482 del main_est.data_generator_ | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 483 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 484 with open(outfile_object, "wb") as output_handler: | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 485 pickle.dump(estimator, output_handler, pickle.HIGHEST_PROTOCOL) | 
| 7 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 486 | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 487 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 488 if __name__ == "__main__": | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 489 aparser = argparse.ArgumentParser() | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 490 aparser.add_argument("-i", "--inputs", dest="inputs", required=True) | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 491 aparser.add_argument("-e", "--estimator", dest="infile_estimator") | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 492 aparser.add_argument("-X", "--infile1", dest="infile1") | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 493 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 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 494 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 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 495 aparser.add_argument("-o", "--outfile_object", dest="outfile_object") | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 496 aparser.add_argument("-w", "--outfile_weights", dest="outfile_weights") | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 497 aparser.add_argument("-l", "--outfile_y_true", dest="outfile_y_true") | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 498 aparser.add_argument("-p", "--outfile_y_preds", dest="outfile_y_preds") | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 499 aparser.add_argument("-g", "--groups", dest="groups") | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 500 aparser.add_argument("-r", "--ref_seq", dest="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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changeset | 501 aparser.add_argument("-b", "--intervals", dest="intervals") | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 502 aparser.add_argument("-t", "--targets", dest="targets") | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 503 aparser.add_argument("-f", "--fasta_path", dest="fasta_path") | 
| 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 504 args = aparser.parse_args() | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
 bgruening parents: diff
changeset | 505 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 506 main( | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 507 args.inputs, | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 508 args.infile_estimator, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 509 args.infile1, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 510 args.infile2, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
7diff
changeset | 511 args.outfile_result, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 512 outfile_object=args.outfile_object, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 513 outfile_weights=args.outfile_weights, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 514 outfile_y_true=args.outfile_y_true, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 515 outfile_y_preds=args.outfile_y_preds, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 516 groups=args.groups, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 517 ref_seq=args.ref_seq, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 518 intervals=args.intervals, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 519 targets=args.targets, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 520 fasta_path=args.fasta_path, | 
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b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
7diff
changeset | 521 ) | 
