diffdock

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

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/diffdock

Source

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

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

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