yuyangw / MolCLR

Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
MIT License
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fix: read all test smiles w/o missing #25

Open sangyeon-hits opened 10 months ago

sangyeon-hits commented 10 months ago

This PR fixes a bug that misses reading the first SMILES record. If the input CSV file has a header line and DictReader is used, the iteration skips the header line automatically.