Datasets:
Update README.md
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README.md
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@@ -200,7 +200,7 @@ then load, featurize, split, fit, and evaluate the catboost model
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"name": "cat_boost_regressor",
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"config": {
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"x_features": ['SMILES::morgan', 'SMILES::maccs_rdkit'],
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"y_features": ['
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model.train(split_featurised_dataset["train"])
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preds = model.predict(split_featurised_dataset["test"])
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@@ -208,8 +208,8 @@ then load, featurize, split, fit, and evaluate the catboost model
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regression_suite = load_suite("regression")
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scores = regression_suite.compute(
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references=split_featurised_dataset["test"]['
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predictions=preds["cat_boost_regressor::
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"name": "cat_boost_regressor",
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"config": {
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"x_features": ['SMILES::morgan', 'SMILES::maccs_rdkit'],
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"y_features": ['Y']}})
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model.train(split_featurised_dataset["train"])
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preds = model.predict(split_featurised_dataset["test"])
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regression_suite = load_suite("regression")
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scores = regression_suite.compute(
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references=split_featurised_dataset["test"]['Y'],
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predictions=preds["cat_boost_regressor::Y"])
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