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Updated 3mo ago

by MaybeBio

Gromacs-Everything-Skill

Claude Code skill for Gromacs，designed for Molecular Dynamics Simulation Operation & QA

Works with
  • Claude
View on GitHub (opens in a new tab)

20 GitHub stars (20)

Steady at 20 stars — no new stars in the 2 days since Oct 29.

  • 1 skill (1 skills found in its SKILL.md files)
  • 1 forks (1 forks)
  • 3mo ago last update (Last updated 3mo ago)

Install

Skills CLI

npx skills add MaybeBio/Gromacs-Everything-Skill

Asks which agents to install it for. Add -g to install it for every project.

Claude Code

git clone https://github.com/MaybeBio/Gromacs-Everything-Skillcp -r "Gromacs-Everything-Skill" ~/.claude/skills/Gromacs-Everything-Skill

Copies the gromacs skill into ~/.claude/skills/ for every project (use .claude/skills/ for one project).

Plugin

/plugin marketplace add MaybeBio/Gromacs-Everything-Skill

Run inside Claude Code if the repository ships a plugin marketplace, then pick plugins from /plugin.

Skills can run code on your machine — read the SKILL.md first.

What it does

In the author's own words, from each skill's SKILL.md.

  • gromacs

    Knowledge base from "GROMACS Documentation Release 2026.2" by the GROMACS development team, enriched with Justin A. Lemkul's practical tutorial workflows and Chinese manual theory notes. Use when applying GROMACS for molecular dynamics simulations: system preparation, force field selection, ligand parametrization, .mdp parameter tuning, mdrun performance optimization, free energy calculations (al…

    SKILL.md on GitHub (opens in a new tab)

Review before you install

A skill is a set of instructions and scripts your agent will follow, and it can run code on your machine. Read the SKILL.md and any scripts first — this listing is not a security review.