pyopenms-mass-spectrometry

Mass spectrometry data processing with PyOpenMS. Use for LC-MS/MS proteomics and metabolomics workflows — mzML/mzXML file I/O, signal processing (smoothing, peak picking, centroiding), feature detection and linking across samples, peptide/protein identification with FDR control, untargeted metabolomics pipelines. For simple spectral matching and metabolite ID, use matchms instead.