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

by davila7· Repository·other
Also installable via skills CLI
npx skills add davila7/claude-code-templates/cli-tool/components/skills/scientific/torchdrug

Source

Path:cli-tool/components/skills/scientific/torchdrug(main)

Related in other

torchdrug | AgentArea Skills