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maomlab
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AggregatorAdvisor

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medicinal chemistry

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Dataset card Data Studio Files Files and versions

haneulpark commited on Jun 21, 2024

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2a8000b

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verified ·

1 Parent(s): 25fc267

Update README.md

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@@ -124,7 +124,7 @@ Split and evaluate the catboost model
     model = load_model_from_dict({
     "name": "cat_boost_regressor",
     "config": {
-        "x_features": ['new SMILES::morgan', 'SMILES::maccs_rdkit'],
         "y_features": ['logP']}})
     model.train(split_featurised_dataset["train"])

     model = load_model_from_dict({
     "name": "cat_boost_regressor",
     "config": {
+        "x_features": ['new SMILES::morgan', 'new SMILES::maccs_rdkit'],
         "y_features": ['logP']}})
     model.train(split_featurised_dataset["train"])