https://github.com/sirius-ms/sirius

SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

bioinformatics cheminformatics csi-fingerid denovo fingerid fragmentation-trees isotope-pattern java mass-spectra mass-spectrometry metabolomics molecular-formulas molecular-structures ms-data ms-spectra science sirius structure-elucidation

Last synced: 18 Feb 2026