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diffdock

95 / 100 · Low risk

Fine to try.

By K-Dense-AI/claude-scientific-skills (GitHub) · data · 56,698 stars · scanned at commit 2d2065f

Predicts protein-small-molecule binding poses with DiffDock and DiffDock-L from PDB or sequence plus SMILES/SDF/MOL2. Covers batch docking, pose triage, confidence interpretation, and validation. Use for molecular docking and virtual-screening pose generation, not binding-affinity prediction.

Works with any agent that supports SKILL.md skills.

What this skill can do

Install

Paste this into your terminal. It downloads exactly the version we scanned, not whatever is newest.

if [ -e ~/.agents/skills/'diffdock' ] || [ -L ~/.agents/skills/'diffdock' ]; then echo 'A skill folder named diffdock already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/K-Dense-AI/claude-scientific-skills' "$d" && git -C "$d" checkout --quiet '2d2065fb4520fa3f3f2bcf61cff26ec8b7eba4b5' -- 'skills/diffdock' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/diffdock' ~/.agents/skills/'diffdock' && rm -rf "$d"; fi

Codex reads ~/.agents/skills directly. For Claude Code, Cursor, Copilot, Gemini CLI, Antigravity or OpenCode, also link it. For Claude Code: ln -s ~/.agents/skills/'diffdock' ~/.claude/skills/'diffdock' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

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Score history

Also found in

Identical copies of this skill exist at:

• K-Dense-AI/scientific-agent-skills/skills/diffdock