annotate pycaret_train.py @ 3:02f7746e7772 draft default tip

planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit ff6d674ecc83db933153b797ef4dbde17f07b10e
author goeckslab
date Wed, 01 Jan 2025 03:19:40 +0000
parents 915447b14520
children
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915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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1 import argparse
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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2 import logging
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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3
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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4 from pycaret_classification import ClassificationModelTrainer
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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6 from pycaret_regression import RegressionModelTrainer
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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8 logging.basicConfig(level=logging.DEBUG)
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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9 LOG = logging.getLogger(__name__)
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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11
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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12 def main():
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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13 parser = argparse.ArgumentParser()
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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14 parser.add_argument("--input_file", help="Path to the input file")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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15 parser.add_argument("--target_col", help="Column number of the target")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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16 parser.add_argument("--output_dir",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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17 help="Path to the output directory")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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18 parser.add_argument("--model_type",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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19 choices=["classification", "regression"],
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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20 help="Type of the model")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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21 parser.add_argument("--train_size", type=float,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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22 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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23 help="Train size for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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24 parser.add_argument("--normalize", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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25 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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26 help="Normalize data for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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27 parser.add_argument("--feature_selection", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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28 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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29 help="Perform feature selection for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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30 parser.add_argument("--cross_validation", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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31 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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32 help="Perform cross-validation for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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33 parser.add_argument("--cross_validation_folds", type=int,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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34 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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35 help="Number of cross-validation folds \
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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36 for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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37 parser.add_argument("--remove_outliers", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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38 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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39 help="Remove outliers for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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40 parser.add_argument("--remove_multicollinearity", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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41 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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42 help="Remove multicollinearity for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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43 parser.add_argument("--polynomial_features", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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44 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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45 help="Generate polynomial features for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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46 parser.add_argument("--feature_interaction", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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47 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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48 help="Generate feature interactions for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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49 parser.add_argument("--feature_ratio", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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50 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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51 help="Generate feature ratios for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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52 parser.add_argument("--fix_imbalance", action="store_true",
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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53 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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54 help="Fix class imbalance for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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55 parser.add_argument("--models", nargs='+',
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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56 default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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57 help="Selected models for training")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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58 parser.add_argument("--random_seed", type=int,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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59 default=42,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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60 help="Random seed for PyCaret setup")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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61 parser.add_argument("--test_file", type=str, default=None,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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62 help="Path to the test data file")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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63
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64 args = parser.parse_args()
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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65
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66 model_kwargs = {
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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67 "train_size": args.train_size,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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68 "normalize": args.normalize,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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69 "feature_selection": args.feature_selection,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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70 "cross_validation": args.cross_validation,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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71 "cross_validation_folds": args.cross_validation_folds,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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72 "remove_outliers": args.remove_outliers,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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73 "remove_multicollinearity": args.remove_multicollinearity,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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74 "polynomial_features": args.polynomial_features,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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75 "feature_interaction": args.feature_interaction,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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76 "feature_ratio": args.feature_ratio,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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77 "fix_imbalance": args.fix_imbalance,
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78 }
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79 LOG.info(f"Model kwargs: {model_kwargs}")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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80
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81 # Remove None values from model_kwargs
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82
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83 LOG.info(f"Model kwargs 2: {model_kwargs}")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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84 if args.models:
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85 model_kwargs["models"] = args.models[0].split(",")
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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86
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87 model_kwargs = {k: v for k, v in model_kwargs.items() if v is not None}
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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88
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89 if args.model_type == "classification":
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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90 trainer = ClassificationModelTrainer(
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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91 args.input_file,
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92 args.target_col,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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93 args.output_dir,
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94 args.model_type,
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95 args.random_seed,
915447b14520 planemo upload for repository https://github.com/goeckslab/Galaxy-Pycaret commit d79b0f722b7d09505a526d1a4332f87e548a3df1
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96 args.test_file,
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97 **model_kwargs)
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98 elif args.model_type == "regression":
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99 if "fix_imbalance" in model_kwargs:
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100 del model_kwargs["fix_imbalance"]
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101 trainer = RegressionModelTrainer(
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102 args.input_file,
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103 args.target_col,
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104 args.output_dir,
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105 args.model_type,
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106 args.random_seed,
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107 args.test_file,
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108 **model_kwargs)
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109 else:
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110 LOG.error("Invalid model type. Please choose \
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111 'classification' or 'regression'.")
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112 return
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113 trainer.run()
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114
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115
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116 if __name__ == "__main__":
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117 main()