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 pur3v4d3r· Repository·data

Run in AgentArea Browse All Skills

Also installable via skills CLI

npx skills add pur3v4d3r/pur3-pkb-codebase/.claude/skills/__scientific-skills/torchdrug

Source

Repo:github.com/pur3v4d3r/pur3-pkb-codebase

Path:.claude/skills/__scientific-skills/torchdrug/SKILL.md(main)

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