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diffdock-nim

90 / 100 · Low risk

Fine to try. Some of what it can do is expected: a coding skill usually runs build and test commands.

By NVIDIA/skills (GitHub) · coding · 3,933 stars · scanned at commit 2630133

Run DiffDock molecular docking via NVIDIA NIM to predict small-molecule binding poses against protein targets. Use for DiffDock, molecular docking, ligand docking, blind docking, SMILES or SDF ligands, ranked poses, confidence scores, hosted NVIDIA API, or local Docker deployment.

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-nim' ] || [ -L ~/.agents/skills/'diffdock-nim' ]; then echo 'A skill folder named diffdock-nim already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/NVIDIA/skills' "$d" && git -C "$d" checkout --quiet '2630133f22e357f2005886567a39eddcc1b520e2' -- 'skills/bionemo-diffdock-nim' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/bionemo-diffdock-nim' ~/.agents/skills/'diffdock-nim' && 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-nim' ~/.claude/skills/'diffdock-nim' (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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