← All skills

molecular-dynamics

80 / 100 · Low risk

Fine to try.

By K-Dense-AI/claude-scientific-skills (GitHub) · data · 57,146 stars · scanned at commit 2d2065f

Runs and analyzes molecular dynamics simulations with OpenMM and MDAnalysis. Sets up protein/small molecule systems, defines force fields, runs energy minimization and production MD, and analyzes trajectories (RMSD, RMSF, contact maps, free energy surfaces). For structural biology, drug binding, and biophysics.

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/'molecular-dynamics' ] || [ -L ~/.agents/skills/'molecular-dynamics' ]; then echo 'A skill folder named molecular-dynamics 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 "$d" checkout --quiet '2d2065fb4520fa3f3f2bcf61cff26ec8b7eba4b5' -- 'skills/molecular-dynamics' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/molecular-dynamics' ~/.agents/skills/'molecular-dynamics' && 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/'molecular-dynamics' ~/.claude/skills/'molecular-dynamics' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

Badge for your README

The badge for K-Dense-AI/claude-scientific-skills shows the score of its lowest-scoring skill.

[![SkillTrust](https://zalavijaysinh.github.io/skilltrust/badges/K-Dense-AI/claude-scientific-skills.svg)](https://zalavijaysinh.github.io/skilltrust/repos/K-Dense-AI/claude-scientific-skills/)

Score history

Also found in

Identical copies of this skill exist at:

• K-Dense-AI/scientific-agent-skills/skills/molecular-dynamics