matchms

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18.1k19973 months ago

Spectral similarity and compound identification for metabolomics. Use for comparing mass spectra, computing similarity scores (cosine, modified cosine), and identifying unknown compounds from spectral libraries. Best for metabolite identification, spectral matching, library searching. For full LC-MS/MS proteomics pipelines use pyopenms.

Quick Install

npxskills add k-dense-ai/claude-scientific-skills--skill matchms

Instructions

No instructions available

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Tags & Topics

ai-scientistbioinformaticschemoinformaticsclaudeclaude-skillsclaudecode