gromacs-mcp

Item: gromacs-mcp
Rating: 69
Author: M8ven

Enables running GROMACS molecular dynamics simulations through natural language, with tools for topology building, solvation, simulation management, and trajectory processing via the Model Context Protocol.

→ Alierkn/gromacs-mcp · listed on glama

Is this your MCP?

Claim it to get a verified publisher badge, a free copy of our full audit findings, and direct contact for any high-priority issues we find.

Install from

Glama

M8ven verifies MCPs across every public registry — install directly from whichever one you prefer.

// key findings

✅

No credential exfiltration, no sensitive file access, no obfuscation

Static analysis found nothing flowing your secrets to unexpected places.

✅

Open source with a license and README

Anyone can audit the code, the license is declared, and the publisher documents what it does.

// required environment variables

This server reads these from process.env. You'll be asked to provide them before it can run.

configGMX_BIN— Zero-config discovery — finds gmx on PATH automatically (override with ).

configGROMACS_MCP_ROOT— ~/gromacs-mcp/projects Base dir for work directories

// full audit trail

The full breakdown of what we checked, the deductions that landed, the network hosts, the dependency advisories, and concrete fix guidance is available to verified publishers.

// improvement guidance — verified publishers only

We have 5 concrete improvements we can share with the publisher of this MCP. Each comes with specific guidance to raise the trust score.

// embed badge in your README

[![M8ven Score](https://m8ven.ai/badge/mcp/alierkn-gromacs-mcp-15izup)](https://m8ven.ai/mcp/alierkn-gromacs-mcp-15izup)

commit: 2c5c957c3f2c047888b63ae258ace3df34cb8773

code hash: 465dee453d1171cb7e3c3a2a1fb31c8e47c72c697b7148ca2cea7cd86490b515

verified: 7/8/2026, 8:43:03 AM

view raw JSON →