/tools/sirius

sirius

sirius-ms/sirius

GitHub
cheminformaticstoolsmall-moleculebioinformatics
137 stars33 forksJavaAdded February 4, 2026
summary

SIRIUS is a software framework that facilitates the de-novo identification of metabolites using tandem mass spectrometry. It automates the analysis of mass spectra to deduce molecular formulas and structures, integrating various tools for enhanced metabolite identification.

description

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)

topics

denovometabolomicsmass-spectrometryjavasciencecheminformaticsbioinformaticsmolecular-structuresmolecular-formulasms-spectrams-datastructure-elucidationfragmentation-treessiriuscsi-fingeridfingeridisotope-patternmass-spectra

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