Individual skill
matchms
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.
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- Apache-2.0
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# Matchms
## Routing Boundary
Use this skill only for matchms, mass spectra, MS/MS spectrum processing, spectral similarity, and metabolomics spectrum workflows. Do not use it for PubMed searches, generic chemistry, non-spectral metabolomics, plotting-only requests, or literature review tasks that do not process mass spectra.
## Overview
Matchms is an open-source Python library for mass spectrometry data processing and analysis. Import spectra from various formats, standardize metadata, filter peaks, calculate spectral similarities, and build reproducible analytical workflows.
## Core Capabilities
### 1. Importing and Exporting Mass Spectrometry Data
