csi-fingerid

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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)
denovo metabolomics mass-spectrometry java science cheminformatics bioinformatics molecular-structures molecular-formulas ms-spectra ms-data structure-elucidation fragmentation-trees sirius csi-fingerid fingerid isotope-pattern mass-spectra
Language:Java 78