matchms
K-Dense-AI/scientific-agent-skills
Matchms is a powerful Python package designed for importing, cleaning, processing, and comparing tandem mass spectra (MS/MS). It supports various file formats (mzML, MGF) and provides core functionalities including library searching, metadata harmonization, peak filtering, and calculating multiple similarity scores (e.g., Cosine, Neutral-loss). It is essential for metabolomics and mass spectrometry workflows, enabling the construction of structured score matrices and spectral similarity networks.