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add predict_smiles_list for chemlog extra
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chebifier/prediction_models/chemlog_predictor.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -55,7 +55,7 @@ def __init__(self, model_name: str, **kwargs):
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self.chebi_graph = kwargs.get("chebi_graph", None)
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self.classifier = self.CHEMLOG_CLASSIFIER()
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58-
def predict_smiles_tuple(self, smiles_list: tuple[str]) -> list:
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def predict_smiles_list(self, smiles_list: list[str]) -> list:
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mol_list = [_smiles_to_mol(smiles) for smiles in smiles_list]
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res = self.classifier.classify(mol_list)
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if self.chebi_graph is not None:

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