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dataset transformation moved into generate_predictions()
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paulsonak committed Dec 13, 2024
1 parent a7ed96a commit b0940ad
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2 changes: 0 additions & 2 deletions atomsci/ddm/pipeline/model_pipeline.py
Original file line number Diff line number Diff line change
Expand Up @@ -856,8 +856,6 @@ def predict_full_dataset(self, dset_df, is_featurized=False, contains_responses=
raise Exception("response_cols missing from model params")
# Get features for each compound and construct a DeepChem Dataset from them
self.data.get_featurized_data(dset_df, is_featurized)
# Transform the features and responses if needed
self.data.dataset = self.model_wrapper.transform_dataset(self.data.dataset, fold='final')

# Note that at this point, the dataset may contain fewer rows than the input. Typically this happens because
# of invalid SMILES strings. Remove any rows from the input dataframe corresponding to SMILES strings that were
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