matchms
K-Dense-AI/scientific-agent-skills
Matchms is a powerful open-source Python library designed for comprehensive mass spectrometry data processing and analytical workflows. It enables users to import spectra from various formats (mzML, MGF, etc.), apply advanced filtering (metadata harmonization, peak selection), and calculate various spectral similarities (e.g., Cosine, Modified Cosine). It is invaluable for metabolite identification, library searching, and building reproducible metabolomics pipelines.