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Builds QSAR / QSPR models using chemprop D-MPNN, MolFormer, Uni-Mol, ChemBERTa, random forest baselines, and Gaussian processes with explicit handling of OECD 5 principles, applicability domain…

GPTomics/bioSkills1.2k2 repos~5.5kAutomated safety check: PassMIT1 mo ago