NPClassifier annotations for the PubChem CID-SMILES dump
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资源简介：
NPClassifier predictions for the full PubChem CID-SMILES dump produced offline with recovered NPClassifier weights and a pinned legacy RDKit. This compact release contains row metadata, pathway vectors, superclass vectors, aggregate counts, and sparse class scores aligned to the emitted class ids.
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Zenodo创建时间：
2026-04-22
