CommunityProductivity & Collaborationgithub.com

FidhaNazreen/MDSimulationAgent

Installable Python CLI that drives a full GROMACS MD workflow end-to-end from a natural-language prompt via Claude Code — 13-step DAG, per-step fingerprinting, resume-after-crash, 3 Claude skills, 8 tutorials, 148+ tests.

What is MDSimulationAgent?

MDSimulationAgent is a Claude Code agent skill that installable Python CLI that drives a full GROMACS MD workflow end-to-end from a natural-language prompt via Claude Code — 13-step DAG, per-step fingerprinting, resume-after-crash, 3 Claude skills, 8 tutorials, 148+ tests.

Works withClaude Code~Codex CLI~Cursor
npx skills add FidhaNazreen/MDSimulationAgent

Installed? Explore more Productivity & Collaboration skills: steipete/gemini, steipete/gh-issues, steipete/skill-creator · View all 6 →

Ask in your favorite AI

Open a new chat with this agent skill pre-loaded.

Documentation

What does MDSimulationAgent do?

Installable Python CLI that drives a full GROMACS MD workflow end-to-end from a natural-language prompt via Claude Code — 13-step DAG, per-step fingerprinting, resume-after-crash, 3 Claude skills, 8 tutorials, 148+ tests.

Related Skills