Agent Skills: torchdrug

Graph-based drug discovery toolkit. Molecular property prediction (ADMET), protein modeling, knowledge graph reasoning, molecular generation, retrosynthesis, GNNs (GIN, GAT, SchNet), 40+ datasets, for PyTorch-based ML on molecules, proteins, and biomedical graphs.

ID: jackspace/claudeskillz/torchdrug

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npx skills add jackspace/claudeskillz --skill torchdrug

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