annotate pycaret_train.py @ 2:77c88226bfde draft

planemo upload for repository https://github.com/goeckslab/gleam commit 06c0da44ac93256dfb616a6b40276b5485a71e8e
author goeckslab
date Wed, 02 Jul 2025 18:59:39 +0000
parents 209b663a4f62
children f6a65e05d6ec
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209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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1 import argparse
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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2 import logging
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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4 from pycaret_classification import ClassificationModelTrainer
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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5 from pycaret_regression import RegressionModelTrainer
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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7 logging.basicConfig(level=logging.DEBUG)
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8 LOG = logging.getLogger(__name__)
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11 def main():
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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12 parser = argparse.ArgumentParser()
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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13 parser.add_argument("--input_file", help="Path to the input file")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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14 parser.add_argument("--target_col", help="Column number of the target")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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15 parser.add_argument("--output_dir",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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16 help="Path to the output directory")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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17 parser.add_argument("--model_type",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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18 choices=["classification", "regression"],
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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19 help="Type of the model")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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20 parser.add_argument("--train_size", type=float,
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21 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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22 help="Train size for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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23 parser.add_argument("--normalize", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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24 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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25 help="Normalize data for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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26 parser.add_argument("--feature_selection", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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27 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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28 help="Perform feature selection for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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29 parser.add_argument("--cross_validation", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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30 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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31 help="Perform cross-validation for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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32 parser.add_argument("--cross_validation_folds", type=int,
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33 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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34 help="Number of cross-validation folds \
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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35 for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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36 parser.add_argument("--remove_outliers", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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37 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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38 help="Remove outliers for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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39 parser.add_argument("--remove_multicollinearity", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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40 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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41 help="Remove multicollinearity for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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42 parser.add_argument("--polynomial_features", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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43 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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44 help="Generate polynomial features for PyCaret setup")
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45 parser.add_argument("--feature_interaction", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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46 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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47 help="Generate feature interactions for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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48 parser.add_argument("--feature_ratio", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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49 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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50 help="Generate feature ratios for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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51 parser.add_argument("--fix_imbalance", action="store_true",
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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52 default=None,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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53 help="Fix class imbalance for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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54 parser.add_argument("--models", nargs='+',
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55 default=None,
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56 help="Selected models for training")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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57 parser.add_argument("--random_seed", type=int,
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58 default=42,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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59 help="Random seed for PyCaret setup")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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60 parser.add_argument("--test_file", type=str, default=None,
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61 help="Path to the test data file")
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62
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63 args = parser.parse_args()
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64
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65 model_kwargs = {
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66 "train_size": args.train_size,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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67 "normalize": args.normalize,
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68 "feature_selection": args.feature_selection,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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69 "cross_validation": args.cross_validation,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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70 "cross_validation_folds": args.cross_validation_folds,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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71 "remove_outliers": args.remove_outliers,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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72 "remove_multicollinearity": args.remove_multicollinearity,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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73 "polynomial_features": args.polynomial_features,
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74 "feature_interaction": args.feature_interaction,
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75 "feature_ratio": args.feature_ratio,
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76 "fix_imbalance": args.fix_imbalance,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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77 }
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78 LOG.info(f"Model kwargs: {model_kwargs}")
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79
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80 # Remove None values from model_kwargs
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81
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82 LOG.info(f"Model kwargs 2: {model_kwargs}")
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83 if args.models:
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84 model_kwargs["models"] = args.models[0].split(",")
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85
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86 model_kwargs = {k: v for k, v in model_kwargs.items() if v is not None}
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87
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88 if args.model_type == "classification":
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89 trainer = ClassificationModelTrainer(
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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90 args.input_file,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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91 args.target_col,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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92 args.output_dir,
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93 args.model_type,
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94 args.random_seed,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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95 args.test_file,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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96 **model_kwargs)
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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97 elif args.model_type == "regression":
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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98 if "fix_imbalance" in model_kwargs:
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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99 del model_kwargs["fix_imbalance"]
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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100 trainer = RegressionModelTrainer(
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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101 args.input_file,
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102 args.target_col,
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103 args.output_dir,
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104 args.model_type,
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105 args.random_seed,
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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106 args.test_file,
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107 **model_kwargs)
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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108 else:
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109 LOG.error("Invalid model type. Please choose \
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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110 'classification' or 'regression'.")
209b663a4f62 planemo upload for repository https://github.com/goeckslab/gleam commit 5dd048419fcbd285a327f88267e93996cd279ee6
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111 return
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112 trainer.run()
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113
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114
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115 if __name__ == "__main__":
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116 main()