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fix function name
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chebai_graph/preprocessing/reader/augmented_reader.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
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import torch
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from chebai.preprocessing.reader import DataReader
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from chebi_utils.sdf_extractor import sanitize_molecule
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from chebi_utils.sdf_extractor import _sanitize_molecule
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from rdkit import Chem
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from torch_geometric.data import Data as GeomData
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@@ -147,7 +147,7 @@ def _smiles_to_mol(self, smiles: str) -> Chem.Mol | None:
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self.f_cnt_for_smiles += 1
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else:
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try:
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mol = sanitize_molecule(mol)
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mol = _sanitize_molecule(mol)
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except Exception as e:
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print(f"RDKit failed at sanitizing {smiles}, Error {e}")
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self.f_cnt_for_smiles += 1

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