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ypotheto/ypotheto-compchem-mcp
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.
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What We Know
- URL https://github.com/ypotheto/compchem-mcp
- Framework mcp
- Sources glama
- First Seen Jul 13, 2026
- Repository github.com/ypotheto/compchem-mcp
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