38 skills found · Page 1 of 2
sirius-ms / SiriusSIRIUS 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)
MSGFPlus / MsgfplusMS-GF+ (aka MSGF+ or MSGFPlus) performs peptide identification by scoring MS/MS spectra against peptides derived from a protein sequence database.
matchms / Ms2deepscoreDeep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
UkcheolShin / MS2 MultiSpectralStereoDatasetThis is the official GitHub page of the Multi-Spectral Stereo (MS2) dataset described in CVPR 2023 paper.
samgoldman97 / MistEncoding MS/MS spectra using formula transformers for inferring molecular properties
iomega / Ms2queryMS2Query - machine learning assisted library querying of MS/MS spectra
sirius-ms / Sirius Libssirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java
BAMeScience / FioraMeet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural networks, FIORA models bond cleavages, fragment intensities, and estimates retention times (RT) and collision cross sections (CCS).
rformassspectrometry / SpectraLow level infrastructure to handle MS spectra
pFindStudio / PDeeppDeep: Predicting MS/MS Spectra of Peptides with Deep Learning
xia-lab / OptiLCMSR package for optimized LC-MS spectra processing
diogobor / ScoutMS-cleavable search engine that enables interactomic analysis by identifying tandem mass spectra of cross-linked peptides.
pattilab / DecoIDMetabolomics software for database-assisted deconvolution of MS/MS spectra
UWPR / LorikeetLorikeet is a JQuery plugin to view MS/MS spectra annotated with fragment ions.
jackhwalters / The Fast Fourier Transform And Spectral Manipulation In Max MSP And Jitter BetaThis project explores the mathematics of the Fast Fourier Transform (FFT) and their application in the programming environment Max, and the subsequent spectral effects that are possible in Max’s openGL extension Jitter.
ComPlat / React Spectra EditorAn editor to View and Edit Chemical Spectra data (NMR, IR and MS).
tingxiecsu / CSU MS2Deep cross-model between MS/MS spectra and structures for unknown metabolite identification
CompOmics / Spectrum SimilarityScoring functions to compare MS/MS spectra
cheminfo / ChromatographyTools for storing, search and analyze GC/MS spectra
volvox292 / Mass2smilesdeep learning based prediction of structures and functional groups from MS/MS spectra
