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qmmm-adaptive

80 / 100 · Low risk

Fine to try.

By lamm-mit/scienceclaw (GitHub) · other · 251 stars · scanned at commit 894598c

QM/MM hybrid simulations with adaptive sampling for enzyme mechanisms and reaction dynamics. Combines quantum mechanics (reactive center) with molecular mechanics (protein/solvent) for accurate transition state and reaction pathway calculations. Supports metadynamics, umbrella sampling, and accelerated MD for enhanced conformational sampling.

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/'qmmm-adaptive' ] || [ -L ~/.agents/skills/'qmmm-adaptive' ]; then echo 'A skill folder named qmmm-adaptive already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/lamm-mit/scienceclaw' "$d" && git -C "$d" checkout --quiet '894598cd3a90891a077c254566276bd379038bad' -- 'skills/qmmm_adaptive' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/qmmm_adaptive' ~/.agents/skills/'qmmm-adaptive' && 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/'qmmm-adaptive' ~/.claude/skills/'qmmm-adaptive' (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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