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MoleculeNet Classification Data : Modularization, dynamic splits, Clean Code
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#287:
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Use chebi_utils SMILES / InCHI parsing (#179)
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Use chebi_utils SMILES / InCHI parsing
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Use chebi_utils SMILES / InCHI parsing
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accept InChI or mol objects for prediction, use chebi_utils SMILES pa…
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MoleculeNet Classification Data : Modularization, dynamic splits, Clean Code
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use mol as features instead of smiles as per https://github.com/ChEB…
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Update pyproject.toml
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Stabilize PyPI publish workflow by disabling Sigstore attestations (#…
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Stabilize PyPI publish workflow by disabling Sigstore attestations (#…
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