@davila7/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.
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Bill of Materials
Everything this skill can do — files, network, commands, and more.
No demos yet. To add one, ask your AI agent: "Submit a demo for @davila7/torchdrug" — or upload via the API.
To add a demo, ask your AI agent: "Submit a demo for @davila7/torchdrug"
No eval data yet. Eval results are published via the SkillSafe API.