mass-spectrometry
There are 658 repositories under mass-spectrometry topic.
OpenMS/OpenMS
The codebase of the OpenMS project
lazear/sage
Proteomics search & quantification so fast that it feels like magic
Nesvilab/FragPipe
A cross-platform proteomics data analysis suite
matchms/matchms
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
sneumann/xcms
This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
MannLabs/alphapept
A modular, python-based framework for mass spectrometry. Powered by nbdev.
pymzml/pymzML
pymzML - an interface between Python and mzML Mass spectrometry Files
bittremieux/spectrum_utils
Python package for efficient mass spectrometry data processing and visualization
lgatto/MSnbase
Base Classes and Functions for Mass Spectrometry and Proteomics
Nesvilab/philosopher
PeptideProphet, PTMProphet, ProteinProphet, iProphet, Abacus, and FDR filtering
Nesvilab/MSFragger
Ultrafast, comprehensive peptide identification for mass spectrometry–based proteomics
nh2tran/DeepNovo
Protein Identification with Deep Learning
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)
lgatto/RforProteomics
Using R and Bioconductor packages for the analysis and comprehension of proteomics data.
ElucidataInc/ElMaven
LC-MS data processing tool for large-scale metabolomics experiments.
OpenChrom/openchrom
Visualization and Analysis of mass spectrometric and chromatographic data.
MannLabs/alphatims
An open-source Python package for efficient accession and visualization of Bruker TimsTOF raw data from the Mann Labs at the Max Planck Institute of Biochemistry.
MannLabs/alphamap
An open-source Python package for the visual annotation of proteomics data with sequence specific knowledge.
MassBank/MassBank-data
Official repository of open data MassBank records
frallain/pymsfilereader
Thermo MSFileReader Python bindings
wfondrie/depthcharge
A deep learning toolkit for mass spectrometry
rickhelmus/patRoon
Workflow solutions for mass-spectrometry based non-target analysis.
sgibb/MALDIquant
Quantitative Analysis of Mass Spectrometry Data
iomega/spec2vec
Word2Vec based similarity measure of mass spectrometry data.
johon-lituobang/MM
Infer metabolic directions from moment differences of mass-weighted intensity distributions
MannLabs/alphapeptstats
Python Package for the downstream analysis of mass-spectrometry-based proteomics data
jpquast/protti
Picotti lab data analysis package.
cgohlke/molmass
Molecular mass calculations
CCMS-UCSD/GNPS_Workflows
Public Workflows at GNPS
MannLabs/alphadia
modular & open DIA search
xieguigang/mzkit
Data toolkits for processing NMR, MALDI MSI, MALDI single cell, Raman Spectroscopy, LC-MS and GC-MS raw data, chemoinformatics data analysis and data visualization.
fgcz/rawrr
Access Orbitrap data in R lang using C# mono assembly - bioconductor package
griquelme/tidyms
TidyMS: Tools for working with MS data in untargeted metabolomics
EMSL-Computing/CoreMS
CoreMS is a comprehensive mass spectrometry software framework
sirius-ms/sirius-libs
sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java
ProteomicsML/ProteomicsML
Community-curated tutorials and datasets for ML in proteomics