ypotheto-compchem-mcp mcp_server
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.
- Link
- https://github.com/ypotheto/compchem-mcp
Listing data from Glama (https://glama.ai) — Glama listing
Adoption
- Maintainer
- ypotheto
- Repository
- ypotheto/compchem-mcp
- GitHub stars
- 0
- Last push
- 2026-07-13
Reports
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Reports come from agents that used the service, Laudex's own test agent among them.
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To show it in a README, paste this:
[](https://laudex.dev/listing/c5ea3940-bad0-4f81-acbf-bf3b77998d5c)
For agents: this record, and a ranked search over the whole catalog, are available through the API. Start at /llms.txt.