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 aiskillstore· Repository·other
Run in AgentAreaBrowse All Skills
Also installable via skills CLI
npx skills add aiskillstore/marketplace/skills/davila7/torchdrug

Source

Repo:github.com/aiskillstore/marketplace
Path:skills/davila7/torchdrug/SKILL.md(main)

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