Mercurial > repos > bgruening > sklearn_stacking_ensemble_models
annotate train_test_eval.py @ 9:b8c92e94ac1d draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
| author | bgruening | 
|---|---|
| date | Tue, 13 Apr 2021 15:49:42 +0000 | 
| parents | 00819b7f2f55 | 
| children | 2d890789ac48 | 
| rev | line source | 
|---|---|
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 1 import argparse | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 2 import json | 
| 7 
00819b7f2f55
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 756f8be9c3cd437e131e6410cd625c24fe078e8c"
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changeset | 3 import os | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 4 import pickle | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 5 import warnings | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 6 | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 7 from itertools import chain | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 8 | 
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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 | 9 import joblib | 
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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 | 10 import numpy as np | 
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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 | 11 import pandas as pd | 
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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 | 12 from galaxy_ml.model_validations import train_test_split | 
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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 | 13 from galaxy_ml.utils import ( | 
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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 | 14 get_module, | 
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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 | 15 get_scoring, | 
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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 | 16 load_model, | 
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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 | 17 read_columns, | 
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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 | 18 SafeEval, | 
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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 | 19 try_get_attr, | 
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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 | 20 ) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 21 from scipy.io import mmread | 
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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 | 22 from sklearn import pipeline | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 23 from sklearn.metrics.scorer import _check_multimetric_scoring | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 24 from sklearn.model_selection._validation import _score | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 25 from sklearn.model_selection import _search, _validation | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 26 from sklearn.model_selection._validation import _score | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 27 from sklearn.utils import indexable, safe_indexing | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 28 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 29 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 30 _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 | 31 setattr(_search, "_fit_and_score", _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 | 32 setattr(_validation, "_fit_and_score", _fit_and_score) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 33 | 
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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 N_JOBS = int(os.environ.get("GALAXY_SLOTS", 1)) | 
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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 | 35 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 | 36 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 | 37 NON_SEARCHABLE = ("n_jobs", "pre_dispatch", "memory", "_path", "nthread", "callbacks") | 
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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 | 38 ALLOWED_CALLBACKS = ( | 
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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 | 39 "EarlyStopping", | 
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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 | 40 "TerminateOnNaN", | 
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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 | 41 "ReduceLROnPlateau", | 
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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 | 42 "CSVLogger", | 
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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 | 43 "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 | 44 ) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 45 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 46 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 47 def _eval_swap_params(params_builder): | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 48 swap_params = {} | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 49 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 50 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 | 51 swap_value = p["sp_value"].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 | 52 if swap_value == "": | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 53 continue | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 54 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 55 param_name = p["sp_name"] | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 56 if param_name.lower().endswith(NON_SEARCHABLE): | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 57 warnings.warn( | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 58 "Warning: `%s` is not eligible for search and was " | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 59 "omitted!" % param_name | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 60 ) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 61 continue | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 62 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 63 if not swap_value.startswith(":"): | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 64 safe_eval = SafeEval(load_scipy=True, load_numpy=True) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 65 ev = safe_eval(swap_value) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 66 else: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 67 # Have `:` before search list, asks for estimator evaluatio | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 68 safe_eval_es = SafeEval(load_estimators=True) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 69 swap_value = swap_value[1:].strip() | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 70 # TODO maybe add regular express check | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 71 ev = safe_eval_es(swap_value) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 72 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 73 swap_params[param_name] = ev | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 74 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 75 return swap_params | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 76 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 77 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 78 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 c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 79 """extend train_test_split to take None arrays | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 80 and support split by group names. | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 81 """ | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 82 nones = [] | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 83 new_arrays = [] | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 84 for idx, arr in enumerate(arrays): | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 85 if arr is None: | 
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changeset | 86 nones.append(idx) | 
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changeset | 87 else: | 
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changeset | 88 new_arrays.append(arr) | 
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changeset | 89 | 
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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 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 | 91 kwargs["shuffle"] = None | 
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changeset | 92 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 93 group_names = kwargs.pop("group_names", None) | 
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changeset | 94 | 
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changeset | 95 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 | 96 group_names = [name.strip() for name in group_names.split(",")] | 
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changeset | 97 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 | 98 groups = kwargs["labels"] | 
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changeset | 99 n_samples = new_arrays[0].shape[0] | 
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changeset | 100 index_arr = np.arange(n_samples) | 
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changeset | 101 test = index_arr[np.isin(groups, group_names)] | 
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changeset | 102 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 | 103 rval = list( | 
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changeset | 104 chain.from_iterable( | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 105 (safe_indexing(a, train), safe_indexing(a, test)) for a in new_arrays | 
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changeset | 106 ) | 
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changeset | 107 ) | 
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changeset | 108 else: | 
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changeset | 109 rval = train_test_split(*new_arrays, **kwargs) | 
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changeset | 110 | 
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changeset | 111 for pos in nones: | 
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changeset | 112 rval[pos * 2: 2] = [None, None] | 
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changeset | 113 | 
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changeset | 114 return rval | 
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changeset | 115 | 
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changeset | 116 | 
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changeset | 117 def main( | 
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changeset | 118 inputs, | 
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changeset | 119 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 | 120 infile1, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 121 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 | 122 outfile_result, | 
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changeset | 123 outfile_object=None, | 
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changeset | 124 outfile_weights=None, | 
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changeset | 125 groups=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 | 126 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 | 127 intervals=None, | 
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changeset | 128 targets=None, | 
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changeset | 129 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 | 130 ): | 
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changeset | 131 """ | 
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changeset | 132 Parameter | 
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changeset | 133 --------- | 
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changeset | 134 inputs : str | 
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changeset | 135 File path to galaxy tool parameter | 
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changeset | 136 | 
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changeset | 137 infile_estimator : str | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 138 File path to estimator | 
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changeset | 139 | 
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changeset | 140 infile1 : str | 
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changeset | 141 File path to dataset containing features | 
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changeset | 142 | 
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changeset | 143 infile2 : str | 
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changeset | 144 File path to dataset containing target values | 
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changeset | 145 | 
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changeset | 146 outfile_result : str | 
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changeset | 147 File path to save the results, either cv_results or test result | 
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changeset | 148 | 
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changeset | 149 outfile_object : str, optional | 
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changeset | 150 File path to save searchCV object | 
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changeset | 151 | 
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changeset | 152 outfile_weights : str, optional | 
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changeset | 153 File path to save deep learning model weights | 
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changeset | 154 | 
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changeset | 155 groups : str | 
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changeset | 156 File path to dataset containing groups labels | 
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changeset | 157 | 
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changeset | 158 ref_seq : str | 
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changeset | 159 File path to dataset containing genome sequence file | 
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changeset | 160 | 
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changeset | 161 intervals : str | 
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changeset | 162 File path to dataset containing interval file | 
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changeset | 163 | 
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changeset | 164 targets : str | 
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changeset | 165 File path to dataset compressed target bed file | 
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changeset | 166 | 
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changeset | 167 fasta_path : str | 
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changeset | 168 File path to dataset containing fasta file | 
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changeset | 169 """ | 
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changeset | 170 warnings.simplefilter("ignore") | 
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changeset | 171 | 
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changeset | 172 with open(inputs, "r") as param_handler: | 
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changeset | 173 params = json.load(param_handler) | 
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changeset | 174 | 
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changeset | 175 # load estimator | 
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changeset | 176 with open(infile_estimator, "rb") as estimator_handler: | 
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changeset | 177 estimator = load_model(estimator_handler) | 
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changeset | 178 | 
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changeset | 179 # swap hyperparameter | 
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changeset | 180 swapping = params["experiment_schemes"]["hyperparams_swapping"] | 
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changeset | 181 swap_params = _eval_swap_params(swapping) | 
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changeset | 182 estimator.set_params(**swap_params) | 
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changeset | 183 | 
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changeset | 184 estimator_params = estimator.get_params() | 
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changeset | 185 | 
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changeset | 186 # store read dataframe object | 
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changeset | 187 loaded_df = {} | 
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changeset | 188 | 
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changeset | 189 input_type = params["input_options"]["selected_input"] | 
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changeset | 190 # tabular input | 
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changeset | 191 if input_type == "tabular": | 
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changeset | 192 header = "infer" if params["input_options"]["header1"] else None | 
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changeset | 193 column_option = params["input_options"]["column_selector_options_1"][ | 
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changeset | 194 "selected_column_selector_option" | 
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changeset | 195 ] | 
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changeset | 196 if column_option in [ | 
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changeset | 197 "by_index_number", | 
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changeset | 198 "all_but_by_index_number", | 
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changeset | 199 "by_header_name", | 
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changeset | 200 "all_but_by_header_name", | 
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changeset | 201 ]: | 
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changeset | 202 c = params["input_options"]["column_selector_options_1"]["col1"] | 
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changeset | 203 else: | 
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changeset | 204 c = None | 
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changeset | 205 | 
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changeset | 206 df_key = infile1 + repr(header) | 
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changeset | 207 df = pd.read_csv(infile1, sep="\t", header=header, parse_dates=True) | 
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changeset | 208 loaded_df[df_key] = df | 
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changeset | 209 | 
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changeset | 210 X = read_columns(df, c=c, c_option=column_option).astype(float) | 
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changeset | 211 # sparse input | 
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changeset | 212 elif input_type == "sparse": | 
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changeset | 213 X = mmread(open(infile1, "r")) | 
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changeset | 214 | 
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changeset | 215 # fasta_file input | 
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changeset | 216 elif input_type == "seq_fasta": | 
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changeset | 217 pyfaidx = get_module("pyfaidx") | 
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changeset | 218 sequences = pyfaidx.Fasta(fasta_path) | 
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changeset | 219 n_seqs = len(sequences.keys()) | 
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changeset | 220 X = np.arange(n_seqs)[:, np.newaxis] | 
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changeset | 221 for param in estimator_params.keys(): | 
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changeset | 222 if param.endswith("fasta_path"): | 
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changeset | 223 estimator.set_params(**{param: fasta_path}) | 
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changeset | 224 break | 
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changeset | 225 else: | 
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changeset | 226 raise ValueError( | 
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changeset | 227 "The selected estimator doesn't support " | 
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changeset | 228 "fasta file input! Please consider using " | 
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changeset | 229 "KerasGBatchClassifier with " | 
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changeset | 230 "FastaDNABatchGenerator/FastaProteinBatchGenerator " | 
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changeset | 231 "or having GenomeOneHotEncoder/ProteinOneHotEncoder " | 
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changeset | 232 "in pipeline!" | 
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changeset | 233 ) | 
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changeset | 234 | 
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changeset | 235 elif input_type == "refseq_and_interval": | 
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changeset | 236 path_params = { | 
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changeset | 237 "data_batch_generator__ref_genome_path": ref_seq, | 
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changeset | 238 "data_batch_generator__intervals_path": intervals, | 
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changeset | 239 "data_batch_generator__target_path": targets, | 
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changeset | 240 } | 
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changeset | 241 estimator.set_params(**path_params) | 
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changeset | 242 n_intervals = sum(1 for line in open(intervals)) | 
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changeset | 243 X = np.arange(n_intervals)[:, np.newaxis] | 
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changeset | 244 | 
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changeset | 245 # Get target y | 
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changeset | 246 header = "infer" if params["input_options"]["header2"] else None | 
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changeset | 247 column_option = params["input_options"]["column_selector_options_2"][ | 
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changeset | 248 "selected_column_selector_option2" | 
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changeset | 249 ] | 
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changeset | 250 if column_option in [ | 
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changeset | 251 "by_index_number", | 
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changeset | 252 "all_but_by_index_number", | 
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changeset | 253 "by_header_name", | 
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changeset | 254 "all_but_by_header_name", | 
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changeset | 255 ]: | 
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changeset | 256 c = params["input_options"]["column_selector_options_2"]["col2"] | 
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changeset | 257 else: | 
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changeset | 258 c = None | 
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changeset | 259 | 
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changeset | 260 df_key = infile2 + repr(header) | 
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changeset | 261 if df_key in loaded_df: | 
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changeset | 262 infile2 = loaded_df[df_key] | 
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changeset | 263 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 | 264 infile2 = pd.read_csv(infile2, sep="\t", header=header, parse_dates=True) | 
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changeset | 265 loaded_df[df_key] = infile2 | 
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changeset | 266 | 
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changeset | 267 y = read_columns(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 | 268 c=c, | 
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changeset | 269 c_option=column_option, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 270 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 | 271 header=header, | 
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changeset | 272 parse_dates=True) | 
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changeset | 273 if len(y.shape) == 2 and y.shape[1] == 1: | 
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changeset | 274 y = y.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 | 275 if input_type == "refseq_and_interval": | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 276 estimator.set_params(data_batch_generator__features=y.ravel().tolist()) | 
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changeset | 277 y = None | 
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changeset | 278 # end y | 
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changeset | 279 | 
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changeset | 280 # load groups | 
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changeset | 281 if groups: | 
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changeset | 282 groups_selector = ( | 
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changeset | 283 params["experiment_schemes"]["test_split"]["split_algos"] | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 284 ).pop("groups_selector") | 
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changeset | 285 | 
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changeset | 286 header = "infer" if groups_selector["header_g"] else None | 
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changeset | 287 column_option = groups_selector["column_selector_options_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 | 288 "selected_column_selector_option_g" | 
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changeset | 289 ] | 
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changeset | 290 if column_option in [ | 
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changeset | 291 "by_index_number", | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 292 "all_but_by_index_number", | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 293 "by_header_name", | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 294 "all_but_by_header_name", | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 295 ]: | 
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changeset | 296 c = groups_selector["column_selector_options_g"]["col_g"] | 
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changeset | 297 else: | 
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changeset | 298 c = None | 
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changeset | 299 | 
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changeset | 300 df_key = groups + repr(header) | 
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changeset | 301 if df_key in loaded_df: | 
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changeset | 302 groups = loaded_df[df_key] | 
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changeset | 303 | 
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changeset | 304 groups = read_columns(groups, | 
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changeset | 305 c=c, | 
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changeset | 306 c_option=column_option, | 
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changeset | 307 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 | 308 header=header, | 
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changeset | 309 parse_dates=True) | 
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changeset | 310 groups = groups.ravel() | 
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changeset | 311 | 
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changeset | 312 # del loaded_df | 
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changeset | 313 del loaded_df | 
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changeset | 314 | 
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changeset | 315 # handle memory | 
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changeset | 316 memory = joblib.Memory(location=CACHE_DIR, verbose=0) | 
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changeset | 317 # cache iraps_core fits could increase search speed significantly | 
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changeset | 318 if estimator.__class__.__name__ == "IRAPSClassifier": | 
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changeset | 319 estimator.set_params(memory=memory) | 
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changeset | 320 else: | 
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changeset | 321 # For iraps buried in pipeline | 
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changeset | 322 new_params = {} | 
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changeset | 323 for p, v in estimator_params.items(): | 
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changeset | 324 if p.endswith("memory"): | 
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changeset | 325 # for case of `__irapsclassifier__memory` | 
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changeset | 326 if len(p) > 8 and p[:-8].endswith("irapsclassifier"): | 
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changeset | 327 # cache iraps_core fits could increase search | 
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changeset | 328 # speed significantly | 
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changeset | 329 new_params[p] = memory | 
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changeset | 330 # security reason, we don't want memory being | 
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changeset | 331 # modified unexpectedly | 
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changeset | 332 elif v: | 
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changeset | 333 new_params[p] = None | 
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changeset | 334 # handle n_jobs | 
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changeset | 335 elif p.endswith("n_jobs"): | 
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changeset | 336 # For now, 1 CPU is suggested for iprasclassifier | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 337 if len(p) > 8 and p[:-8].endswith("irapsclassifier"): | 
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changeset | 338 new_params[p] = 1 | 
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changeset | 339 else: | 
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changeset | 340 new_params[p] = N_JOBS | 
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changeset | 341 # for security reason, types of callback are limited | 
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changeset | 342 elif p.endswith("callbacks"): | 
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changeset | 343 for cb in v: | 
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changeset | 344 cb_type = cb["callback_selection"]["callback_type"] | 
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changeset | 345 if cb_type not in 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 | 346 raise ValueError("Prohibited callback type: %s!" % cb_type) | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 347 | 
| 
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changeset | 348 estimator.set_params(**new_params) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 349 | 
| 
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 bgruening parents: diff
changeset | 350 # handle scorer, convert to scorer dict | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 351 # Check if scoring is specified | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 352 scoring = params["experiment_schemes"]["metrics"].get("scoring", None) | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 353 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 | 354 # 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 | 355 # 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 | 356 secondary_scoring = scoring.get("secondary_scoring", 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 | 357 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 | 358 # 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 | 359 scoring["secondary_scoring"] = ",".join(scoring["secondary_scoring"]) | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 360 scorer = get_scoring(scoring) | 
| 
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changeset | 361 scorer, _ = _check_multimetric_scoring(estimator, scoring=scorer) | 
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changeset | 362 | 
| 
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changeset | 363 # 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 | 364 test_split_options = params["experiment_schemes"]["test_split"]["split_algos"] | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 365 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 366 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 | 367 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 | 368 if test_split_options["shuffle"] == "stratified": | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 369 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 | 370 test_split_options["labels"] = y | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 371 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 372 raise ValueError( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 373 "Stratified shuffle split is not " "applicable on empty target values!" | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 374 ) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 375 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 376 X_train, X_test, y_train, y_test, groups_train, _groups_test = train_test_split_none( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 377 X, y, groups, **test_split_options | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 378 ) | 
| 2 
e18d9b17c322
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 bgruening parents: diff
changeset | 379 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 380 exp_scheme = params["experiment_schemes"]["selected_exp_scheme"] | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 381 | 
| 
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 bgruening parents: diff
changeset | 382 # 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 | 383 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 | 384 val_split_options = params["experiment_schemes"]["val_split"]["split_algos"] | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 385 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 386 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 | 387 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 | 388 if val_split_options["shuffle"] == "stratified": | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 389 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 | 390 val_split_options["labels"] = y_train | 
| 2 
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 bgruening parents: diff
changeset | 391 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 392 raise ValueError( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 393 "Stratified shuffle split is not " | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 394 "applicable on empty target values!" | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 395 ) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 396 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 397 ( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 398 X_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 399 X_val, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 400 y_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 401 y_val, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 402 groups_train, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 403 _groups_val, | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 404 ) = train_test_split_none(X_train, y_train, groups_train, **val_split_options) | 
| 2 
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 bgruening parents: diff
changeset | 405 | 
| 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 406 # 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 | 407 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 | 408 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 | 409 estimator.fit(X_train, y_train, validation_data=(X_val, y_val)) | 
| 2 
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 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 estimator.fit(X_train, y_train, validation_data=(X_test, y_test)) | 
| 2 
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 bgruening parents: diff
changeset | 412 else: | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 413 estimator.fit(X_train, y_train) | 
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 bgruening parents: diff
changeset | 414 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 415 if hasattr(estimator, "evaluate"): | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 416 scores = estimator.evaluate( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 417 X_test, y_test=y_test, scorer=scorer, is_multimetric=True | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 418 ) | 
| 2 
e18d9b17c322
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 bgruening parents: diff
changeset | 419 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 420 scores = _score(estimator, X_test, y_test, scorer, is_multimetric=True) | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 421 # handle output | 
| 
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 bgruening parents: diff
changeset | 422 for name, score in scores.items(): | 
| 
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 bgruening parents: diff
changeset | 423 scores[name] = [score] | 
| 
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changeset | 424 df = pd.DataFrame(scores) | 
| 
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changeset | 425 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 | 426 df.to_csv(path_or_buf=outfile_result, sep="\t", header=True, index=False) | 
| 2 
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changeset | 427 | 
| 
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changeset | 428 memory.clear(warn=False) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 429 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 430 if outfile_object: | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 431 main_est = estimator | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 432 if isinstance(estimator, pipeline.Pipeline): | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 433 main_est = estimator.steps[-1][-1] | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 434 | 
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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 | 435 if hasattr(main_est, "model_") and hasattr(main_est, "save_weights"): | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 436 if outfile_weights: | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 437 main_est.save_weights(outfile_weights) | 
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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 | 438 if getattr(main_est, "model_", 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 | 439 del main_est.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 | 440 if getattr(main_est, "fit_params", 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 | 441 del main_est.fit_params | 
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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 | 442 if getattr(main_est, "model_class_", 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 | 443 del main_est.model_class_ | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 444 if getattr(main_est, "validation_data", 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 | 445 del main_est.validation_data | 
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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 | 446 if getattr(main_est, "data_generator_", None): | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 447 del main_est.data_generator_ | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 448 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 449 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 | 450 pickle.dump(estimator, output_handler, pickle.HIGHEST_PROTOCOL) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 451 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 452 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 453 if __name__ == "__main__": | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 454 aparser = argparse.ArgumentParser() | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 455 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 c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 456 aparser.add_argument("-e", "--estimator", dest="infile_estimator") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 457 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 c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 458 aparser.add_argument("-y", "--infile2", dest="infile2") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 459 aparser.add_argument("-O", "--outfile_result", dest="outfile_result") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 460 aparser.add_argument("-o", "--outfile_object", dest="outfile_object") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 461 aparser.add_argument("-w", "--outfile_weights", dest="outfile_weights") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 462 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 c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 463 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 c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 464 aparser.add_argument("-b", "--intervals", dest="intervals") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 465 aparser.add_argument("-t", "--targets", dest="targets") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 466 aparser.add_argument("-f", "--fasta_path", dest="fasta_path") | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 467 args = aparser.parse_args() | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 468 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 469 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 | 470 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 | 471 args.infile_estimator, | 
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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 | 472 args.infile1, | 
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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 | 473 args.infile2, | 
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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 | 474 args.outfile_result, | 
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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 | 475 outfile_object=args.outfile_object, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 476 outfile_weights=args.outfile_weights, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 477 groups=args.groups, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 478 ref_seq=args.ref_seq, | 
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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 intervals=args.intervals, | 
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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 targets=args.targets, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 481 fasta_path=args.fasta_path, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 482 ) | 
