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mcp-molecules

Chemistry toolbox computed from authoritative data: molecular weight / molar mass of any formula (nested groups, isotope labels, propagated NIST uncertainties, percent composition), isotope-distribution mass spectra (m/z peaks for a given charge), and name⇆formula lookup with isomer resolution. Element masses from the NIST Atomic Weights and Isotopic Compositions database; offline and deterministic, with an optional on-by-default online fallback (PubChem/Wikidata/EPA CompTox) that can be disabled. `uvx mcp-molecules`.

Topics: Research

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See the repository for installation instructions: https://github.com/laszlopere/mcp-molecules

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