pytdc-therapeutics-data-commons
From the author
Therapeutics Data Commons (TDC) AI-ready drug discovery datasets. Curated ADME, toxicity, DTI, DDI with scaffold/cold splits, standardized metrics, molecular oracles, and ADMET benchmarks for therapeutic ML and property prediction. For chemical database queries use chembl-database-bioactivity; for featurization use molfeat.
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npx skills add jaechang-hits/SciAgent-Skills --skill pytdc-therapeutics-data-commons -a claude-code
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