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Update 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": "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": ['Class'],
@@ -191,10 +191,10 @@ then load, featurize, split, fit, and evaluate the a catboost model
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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"]['Class'],
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- predictions=preds["cat_boost_regressor::Class"])
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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