Mercurial > repos > bgruening > sklearn_stacking_ensemble_models
annotate train_test_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 | 
|---|---|
| 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 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 6 from itertools import chain | 
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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 | 7 | 
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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 | 8 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 | 9 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 | 10 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 | 11 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 | 12 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 | 13 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 | 14 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 | 15 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 | 16 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 | 17 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 | 18 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 | 19 ) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 20 from scipy.io import mmread | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
 bgruening parents: 
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changeset | 21 from sklearn import 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 | 22 from sklearn.metrics.scorer import _check_multimetric_scoring | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 23 from sklearn.model_selection import _search, _validation | 
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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 | 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.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 | 26 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 27 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 28 _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 | 29 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 | 30 setattr(_validation, "_fit_and_score", _fit_and_score) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 31 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 32 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 | 33 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 | 34 del os | 
| 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 | 35 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 | 36 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 | 37 "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 | 38 "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 | 39 "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 | 40 "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 | 41 "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 | 42 ) | 
| 2 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 43 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 44 | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 45 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 | 46 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 | 47 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 48 for p in params_builder["param_set"]: | 
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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 | 49 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 | 50 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 | 51 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 | 52 | 
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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 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 | 54 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 | 55 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 | 56 "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 | 57 "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 | 58 ) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 59 continue | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 60 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 61 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 | 62 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 | 63 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 | 64 else: | 
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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 # 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 | 66 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 | 67 swap_value = swap_value[1:].strip() | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 68 # 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 | 69 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 | 70 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 71 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 | 72 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 73 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 | 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 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 76 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 | 77 """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 | 78 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 | 79 """ | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 80 nones = [] | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 81 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 | 82 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 | 83 if arr is None: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 84 nones.append(idx) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 85 else: | 
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changeset | 86 new_arrays.append(arr) | 
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changeset | 87 | 
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changeset | 88 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 | 89 kwargs["shuffle"] = None | 
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changeset | 90 | 
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changeset | 91 group_names = kwargs.pop("group_names", None) | 
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changeset | 92 | 
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changeset | 93 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 | 94 group_names = [name.strip() for name in group_names.split(",")] | 
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changeset | 95 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 | 96 groups = kwargs["labels"] | 
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changeset | 97 n_samples = new_arrays[0].shape[0] | 
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changeset | 98 index_arr = np.arange(n_samples) | 
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changeset | 99 test = index_arr[np.isin(groups, group_names)] | 
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changeset | 100 train = index_arr[~np.isin(groups, group_names)] | 
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changeset | 101 rval = list( | 
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changeset | 102 chain.from_iterable( | 
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changeset | 103 (safe_indexing(a, train), safe_indexing(a, test)) for a in new_arrays | 
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changeset | 104 ) | 
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changeset | 105 ) | 
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changeset | 106 else: | 
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changeset | 107 rval = train_test_split(*new_arrays, **kwargs) | 
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changeset | 108 | 
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changeset | 109 for pos in nones: | 
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changeset | 110 rval[pos * 2: 2] = [None, None] | 
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changeset | 111 | 
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changeset | 112 return rval | 
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changeset | 113 | 
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changeset | 114 | 
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changeset | 115 def main( | 
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changeset | 116 inputs, | 
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changeset | 117 infile_estimator, | 
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changeset | 118 infile1, | 
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changeset | 119 infile2, | 
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changeset | 120 outfile_result, | 
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changeset | 121 outfile_object=None, | 
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changeset | 122 outfile_weights=None, | 
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changeset | 123 groups=None, | 
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changeset | 124 ref_seq=None, | 
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changeset | 125 intervals=None, | 
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changeset | 126 targets=None, | 
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changeset | 127 fasta_path=None, | 
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changeset | 128 ): | 
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changeset | 129 """ | 
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changeset | 130 Parameter | 
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changeset | 131 --------- | 
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changeset | 132 inputs : str | 
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changeset | 133 File path to galaxy tool parameter | 
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changeset | 134 | 
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changeset | 135 infile_estimator : str | 
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changeset | 136 File path to estimator | 
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changeset | 137 | 
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changeset | 138 infile1 : str | 
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changeset | 139 File path to dataset containing features | 
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changeset | 140 | 
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changeset | 141 infile2 : str | 
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changeset | 142 File path to dataset containing target values | 
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changeset | 143 | 
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changeset | 144 outfile_result : str | 
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changeset | 145 File path to save the results, either cv_results or test result | 
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changeset | 146 | 
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changeset | 147 outfile_object : str, optional | 
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changeset | 148 File path to save searchCV object | 
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changeset | 149 | 
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changeset | 150 outfile_weights : str, optional | 
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changeset | 151 File path to save deep learning model weights | 
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changeset | 152 | 
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changeset | 153 groups : str | 
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changeset | 154 File path to dataset containing groups labels | 
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changeset | 155 | 
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changeset | 156 ref_seq : str | 
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changeset | 157 File path to dataset containing genome sequence file | 
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changeset | 158 | 
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changeset | 159 intervals : str | 
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changeset | 160 File path to dataset containing interval file | 
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changeset | 161 | 
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changeset | 162 targets : str | 
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changeset | 163 File path to dataset compressed target bed file | 
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changeset | 164 | 
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changeset | 165 fasta_path : str | 
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changeset | 166 File path to dataset containing fasta file | 
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changeset | 167 """ | 
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changeset | 168 warnings.simplefilter("ignore") | 
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changeset | 169 | 
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changeset | 170 with open(inputs, "r") as param_handler: | 
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changeset | 171 params = json.load(param_handler) | 
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changeset | 172 | 
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changeset | 173 # load estimator | 
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changeset | 174 with open(infile_estimator, "rb") as estimator_handler: | 
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changeset | 175 estimator = load_model(estimator_handler) | 
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changeset | 176 | 
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changeset | 177 # swap hyperparameter | 
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changeset | 178 swapping = params["experiment_schemes"]["hyperparams_swapping"] | 
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changeset | 179 swap_params = _eval_swap_params(swapping) | 
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changeset | 180 estimator.set_params(**swap_params) | 
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changeset | 181 | 
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changeset | 182 estimator_params = estimator.get_params() | 
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changeset | 183 | 
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changeset | 184 # store read dataframe object | 
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changeset | 185 loaded_df = {} | 
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changeset | 186 | 
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changeset | 187 input_type = params["input_options"]["selected_input"] | 
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changeset | 188 # tabular input | 
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changeset | 189 if input_type == "tabular": | 
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changeset | 190 header = "infer" if params["input_options"]["header1"] else None | 
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changeset | 191 column_option = params["input_options"]["column_selector_options_1"][ | 
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changeset | 192 "selected_column_selector_option" | 
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changeset | 193 ] | 
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changeset | 194 if column_option in [ | 
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changeset | 195 "by_index_number", | 
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changeset | 196 "all_but_by_index_number", | 
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changeset | 197 "by_header_name", | 
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changeset | 198 "all_but_by_header_name", | 
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changeset | 199 ]: | 
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changeset | 200 c = params["input_options"]["column_selector_options_1"]["col1"] | 
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changeset | 201 else: | 
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changeset | 202 c = None | 
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changeset | 203 | 
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changeset | 204 df_key = infile1 + repr(header) | 
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changeset | 205 df = pd.read_csv(infile1, sep="\t", header=header, parse_dates=True) | 
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changeset | 206 loaded_df[df_key] = df | 
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changeset | 207 | 
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changeset | 208 X = read_columns(df, c=c, c_option=column_option).astype(float) | 
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changeset | 209 # sparse input | 
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changeset | 210 elif input_type == "sparse": | 
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changeset | 211 X = mmread(open(infile1, "r")) | 
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changeset | 212 | 
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changeset | 213 # fasta_file input | 
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changeset | 214 elif input_type == "seq_fasta": | 
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changeset | 215 pyfaidx = get_module("pyfaidx") | 
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changeset | 216 sequences = pyfaidx.Fasta(fasta_path) | 
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changeset | 217 n_seqs = len(sequences.keys()) | 
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changeset | 218 X = np.arange(n_seqs)[:, np.newaxis] | 
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changeset | 219 for param in estimator_params.keys(): | 
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changeset | 220 if param.endswith("fasta_path"): | 
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changeset | 221 estimator.set_params(**{param: fasta_path}) | 
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changeset | 222 break | 
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changeset | 223 else: | 
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changeset | 224 raise ValueError( | 
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changeset | 225 "The selected estimator doesn't support " | 
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changeset | 226 "fasta file input! Please consider using " | 
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changeset | 227 "KerasGBatchClassifier with " | 
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changeset | 228 "FastaDNABatchGenerator/FastaProteinBatchGenerator " | 
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changeset | 229 "or having GenomeOneHotEncoder/ProteinOneHotEncoder " | 
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changeset | 230 "in pipeline!" | 
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changeset | 231 ) | 
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changeset | 232 | 
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changeset | 233 elif input_type == "refseq_and_interval": | 
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changeset | 234 path_params = { | 
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changeset | 235 "data_batch_generator__ref_genome_path": ref_seq, | 
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changeset | 236 "data_batch_generator__intervals_path": intervals, | 
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changeset | 237 "data_batch_generator__target_path": targets, | 
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changeset | 238 } | 
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changeset | 239 estimator.set_params(**path_params) | 
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changeset | 240 n_intervals = sum(1 for line in open(intervals)) | 
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changeset | 241 X = np.arange(n_intervals)[:, np.newaxis] | 
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changeset | 242 | 
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changeset | 243 # Get target y | 
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changeset | 244 header = "infer" if params["input_options"]["header2"] else None | 
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changeset | 245 column_option = params["input_options"]["column_selector_options_2"][ | 
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changeset | 246 "selected_column_selector_option2" | 
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changeset | 247 ] | 
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changeset | 248 if column_option in [ | 
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changeset | 249 "by_index_number", | 
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changeset | 250 "all_but_by_index_number", | 
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changeset | 251 "by_header_name", | 
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changeset | 252 "all_but_by_header_name", | 
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changeset | 253 ]: | 
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changeset | 254 c = params["input_options"]["column_selector_options_2"]["col2"] | 
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changeset | 255 else: | 
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changeset | 256 c = None | 
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changeset | 257 | 
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changeset | 258 df_key = infile2 + repr(header) | 
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changeset | 259 if df_key in loaded_df: | 
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changeset | 260 infile2 = loaded_df[df_key] | 
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changeset | 261 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 | 262 infile2 = pd.read_csv(infile2, sep="\t", header=header, parse_dates=True) | 
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changeset | 263 loaded_df[df_key] = infile2 | 
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changeset | 264 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 265 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 | 266 c=c, | 
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changeset | 267 c_option=column_option, | 
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changeset | 268 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 | 269 header=header, | 
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changeset | 270 parse_dates=True) | 
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changeset | 271 if len(y.shape) == 2 and y.shape[1] == 1: | 
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changeset | 272 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 | 273 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 | 274 estimator.set_params(data_batch_generator__features=y.ravel().tolist()) | 
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changeset | 275 y = None | 
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changeset | 276 # end y | 
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changeset | 277 | 
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changeset | 278 # load groups | 
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changeset | 279 if groups: | 
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changeset | 280 groups_selector = ( | 
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changeset | 281 params["experiment_schemes"]["test_split"]["split_algos"] | 
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changeset | 282 ).pop("groups_selector") | 
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changeset | 283 | 
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changeset | 284 header = "infer" if groups_selector["header_g"] else None | 
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changeset | 285 column_option = groups_selector["column_selector_options_g"][ | 
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changeset | 286 "selected_column_selector_option_g" | 
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changeset | 287 ] | 
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changeset | 288 if column_option in [ | 
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changeset | 289 "by_index_number", | 
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changeset | 290 "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 | 291 "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 | 292 "all_but_by_header_name", | 
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changeset | 293 ]: | 
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changeset | 294 c = groups_selector["column_selector_options_g"]["col_g"] | 
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changeset | 295 else: | 
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changeset | 296 c = None | 
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changeset | 297 | 
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changeset | 298 df_key = groups + repr(header) | 
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changeset | 299 if df_key in loaded_df: | 
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changeset | 300 groups = loaded_df[df_key] | 
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changeset | 301 | 
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changeset | 302 groups = read_columns(groups, | 
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changeset | 303 c=c, | 
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changeset | 304 c_option=column_option, | 
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changeset | 305 sep='\t', | 
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changeset | 306 header=header, | 
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changeset | 307 parse_dates=True) | 
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changeset | 308 groups = groups.ravel() | 
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changeset | 309 | 
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changeset | 310 # del loaded_df | 
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changeset | 311 del loaded_df | 
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changeset | 312 | 
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changeset | 313 # handle memory | 
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changeset | 314 memory = joblib.Memory(location=CACHE_DIR, verbose=0) | 
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changeset | 315 # cache iraps_core fits could increase search speed significantly | 
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changeset | 316 if estimator.__class__.__name__ == "IRAPSClassifier": | 
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changeset | 317 estimator.set_params(memory=memory) | 
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changeset | 318 else: | 
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changeset | 319 # For iraps buried in pipeline | 
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changeset | 320 new_params = {} | 
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changeset | 321 for p, v in estimator_params.items(): | 
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changeset | 322 if p.endswith("memory"): | 
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changeset | 323 # for case of `__irapsclassifier__memory` | 
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changeset | 324 if len(p) > 8 and p[:-8].endswith("irapsclassifier"): | 
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changeset | 325 # cache iraps_core fits could increase search | 
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changeset | 326 # speed significantly | 
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changeset | 327 new_params[p] = memory | 
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changeset | 328 # security reason, we don't want memory being | 
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changeset | 329 # modified unexpectedly | 
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changeset | 330 elif v: | 
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changeset | 331 new_params[p] = None | 
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changeset | 332 # handle n_jobs | 
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changeset | 333 elif p.endswith("n_jobs"): | 
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changeset | 334 # 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 | 335 if len(p) > 8 and p[:-8].endswith("irapsclassifier"): | 
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changeset | 336 new_params[p] = 1 | 
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changeset | 337 else: | 
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changeset | 338 new_params[p] = N_JOBS | 
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changeset | 339 # for security reason, types of callback are limited | 
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changeset | 340 elif p.endswith("callbacks"): | 
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changeset | 341 for cb in v: | 
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changeset | 342 cb_type = cb["callback_selection"]["callback_type"] | 
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changeset | 343 if cb_type not in ALLOWED_CALLBACKS: | 
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changeset | 344 raise ValueError("Prohibited callback type: %s!" % cb_type) | 
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changeset | 345 | 
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changeset | 346 estimator.set_params(**new_params) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 347 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 348 # 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 | 349 # Check if scoring is specified | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 350 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 | 351 if scoring is not 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 | 352 # get_scoring() expects secondary_scoring to be a comma separated string (not a list) | 
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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 | 353 # Check if secondary_scoring is specified | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 354 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 | 355 if secondary_scoring is not 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 | 356 # If secondary_scoring is specified, convert the list into comman separated string | 
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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 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 | 358 scorer = get_scoring(scoring) | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 359 scorer, _ = _check_multimetric_scoring(estimator, scoring=scorer) | 
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e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 360 | 
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changeset | 361 # 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 | 362 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
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changeset | 363 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 364 if test_split_options["shuffle"] == "group": | 
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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 | 365 test_split_options["labels"] = 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 | 366 if test_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 | 367 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 | 368 test_split_options["labels"] = y | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 369 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 370 raise ValueError( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 371 "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 | 372 ) | 
| 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 | 373 | 
| 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 | 374 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 | 375 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 | 376 ) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 377 | 
| 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 | 378 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
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changeset | 379 | 
| 
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changeset | 380 # handle validation (second) split | 
| 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 | 381 if exp_scheme == "train_val_test": | 
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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 | 382 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 | 383 | 
| 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 | 384 if val_split_options["shuffle"] == "group": | 
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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 | 385 val_split_options["labels"] = groups_train | 
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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 | 386 if val_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 | 387 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 | 388 val_split_options["labels"] = y_train | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 389 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 390 raise ValueError( | 
| 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 391 "Stratified shuffle split is not " | 
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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 | 392 "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 | 393 ) | 
| 2 
e18d9b17c322
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 394 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 395 ( | 
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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 | 396 X_train, | 
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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 X_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 | 398 y_train, | 
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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 | 399 y_val, | 
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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 | 400 groups_train, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 401 _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 | 402 ) = train_test_split_none(X_train, y_train, groups_train, **val_split_options) | 
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changeset | 403 | 
| 
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changeset | 404 # 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 | 405 if hasattr(estimator, "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 | 406 if exp_scheme == "train_val_test": | 
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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 | 407 estimator.fit(X_train, y_train, validation_data=(X_val, y_val)) | 
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changeset | 408 else: | 
| 9 
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_test, y_test)) | 
| 2 
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changeset | 410 else: | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 411 estimator.fit(X_train, y_train) | 
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changeset | 412 | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 413 if hasattr(estimator, "evaluate"): | 
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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 | 414 scores = estimator.evaluate( | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 415 X_test, y_test=y_test, scorer=scorer, is_multimetric=True | 
| 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 416 ) | 
| 2 
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 bgruening parents: diff
changeset | 417 else: | 
| 9 
b8c92e94ac1d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 418 scores = _score(estimator, X_test, y_test, scorer, is_multimetric=True) | 
| 2 
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changeset | 419 # handle output | 
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changeset | 420 for name, score in scores.items(): | 
| 
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changeset | 421 scores[name] = [score] | 
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changeset | 422 df = pd.DataFrame(scores) | 
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changeset | 423 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 | 424 df.to_csv(path_or_buf=outfile_result, sep="\t", header=True, index=False) | 
| 2 
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changeset | 425 | 
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changeset | 426 memory.clear(warn=False) | 
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changeset | 427 | 
| 
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 bgruening parents: diff
changeset | 428 if outfile_object: | 
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changeset | 429 main_est = estimator | 
| 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 430 if isinstance(estimator, pipeline.Pipeline): | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 431 main_est = estimator.steps[-1][-1] | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 432 | 
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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 | 433 if hasattr(main_est, "model_") and hasattr(main_est, "save_weights"): | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 434 if outfile_weights: | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 435 main_est.save_weights(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 | 436 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 | 437 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 | 438 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 | 439 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 | 440 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 | 441 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 | 442 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 | 443 del main_est.validation_data | 
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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, "data_generator_", None): | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 445 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 | 446 | 
| 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 | 447 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 | 448 pickle.dump(estimator, output_handler, pickle.HIGHEST_PROTOCOL) | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 449 | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 450 | 
| 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 | 451 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 | 452 aparser = argparse.ArgumentParser() | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 453 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 | 454 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 c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 455 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 | 456 aparser.add_argument("-y", "--infile2", dest="infile2") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 457 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 c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 458 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 | 459 aparser.add_argument("-w", "--outfile_weights", dest="outfile_weights") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
 bgruening parents: diff
changeset | 460 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 | 461 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 | 462 aparser.add_argument("-b", "--intervals", dest="intervals") | 
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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("-t", "--targets", dest="targets") | 
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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("-f", "--fasta_path", dest="fasta_path") | 
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit c035d399196b3bef9982db4f8e47331411dbb20e
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changeset | 465 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 | 466 | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 467 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 | 468 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 | 469 args.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 | 470 args.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 | 471 args.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 | 472 args.outfile_result, | 
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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changeset | 473 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 | 474 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 | 475 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 | 476 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 | 477 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 | 478 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 | 479 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 | 480 ) | 
