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Update 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": ['Solubility']}})
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  model.train(split_featurised_dataset["train"])
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  preds = model.predict(split_featurised_dataset["test"])
@@ -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"]['Solubility'],
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- predictions=preds["cat_boost_regressor::Solubility"])
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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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