Datasets:
Update README.md
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README.md
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@@ -182,7 +182,7 @@ then load, featurize, split, fit, and evaluate the a catboost model
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representations = load_representations_from_dicts([{"name": "morgan"}, {"name": "maccs_rdkit"}]))
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model = load_model_from_dict({
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"name": "
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"config": {
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"x_features": ['smiles::morgan', 'smiles::maccs_rdkit'],
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"y_features": ['Class'],
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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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scores =
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references=split_featurised_dataset["test"]['Class'],
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predictions=preds["
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## Citation
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representations = load_representations_from_dicts([{"name": "morgan"}, {"name": "maccs_rdkit"}]))
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model = load_model_from_dict({
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"name": "cat_boost_classifier",
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"config": {
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"x_features": ['smiles::morgan', 'smiles::maccs_rdkit'],
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"y_features": ['Class'],
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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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classification_suite = load_suite("classification")
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scores = classification_suite.compute(
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references=split_featurised_dataset["test"]['Class'],
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predictions=preds["cat_boost_classifier::Class"])
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## Citation
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