ypotheto-compchem-mcp

Item: ypotheto-compchem-mcp
Rating: 69
Author: M8ven

Enables natural language interaction with computational chemistry tools including molecule building, electronic structure calculations, geometry optimization, vibrational spectroscopy, and molecular dynamics, powered by RDKit, PySCF, and ASE.

→ ypotheto/compchem-mcp · listed on glama

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// 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.

configCOMPCHEM_ENGINE_RUNNER_TYPE

// 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/ypotheto-compchem-mcp-1181jb)](https://m8ven.ai/mcp/ypotheto-compchem-mcp-1181jb)

commit: 6b7c25f31946bda4d6aef3271f062dff4eb5bfbd

code hash: 47f8801cdc00acb20477425a66c3b4a358a23a614bae099604bdbf440ba5ec07

verified: 7/12/2026, 8:34:35 AM

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