Topic: mass-spectrometry Goto Github

👇 Here are 578 public repositories matching this topic...

autoflowresearch / smartpeak
mass-spectrometry,Fast and Accurate CE-, GC- and LC-MS(/MS) Data Processing
Organization: autoflowresearch
mass-spectrometry ms-data analyses biotechnology lc-ms lc-msms gc-ms bioinformatics biotech

bittremieux / spectrum_utils
mass-spectrometry,Python package for efficient mass spectrometry data processing and visualization
User: bittremieux
Home Page: https://spectrum-utils.readthedocs.io/
mass-spectrometry

boecker-lab / sirius
mass-spectrometry,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)
Organization: boecker-lab
denovo metabolomics mass-spectrometry java science cheminformatics bioinformatics molecular-structures molecular-formulas ms-spectra

boecker-lab / sirius-libs
mass-spectrometry,sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java
Organization: boecker-lab
java-library denovo metabolomics cheminformatics bioinformatics mass-spectrometry molecular-formulas ms-spectra ms-data scientific-computing

ccms-ucsd / gnps_workflows
mass-spectrometry,Public Workflows at GNPS
Organization: ccms-ucsd
Home Page: https://gnps.ucsd.edu/
gnps mass-spectrometry molecularnetworking metabolomics naturalproducts untargeted

cgohlke / molmass
mass-spectrometry,Molecular mass calculations
User: cgohlke
Home Page: https://pypi.org/project/molmass
chemistry mass-spectrometry python

chhh / batmass
mass-spectrometry,Mass spectrometry data visualization
User: chhh
Home Page: https://batmass.org
mass-spectrometry lc-ms visualization viewer mzml mzxml pepxml

compomics / moff
mass-spectrometry, A modest Feature Finder (moFF) to extract MS1 intensities from Thermo raw file
Organization: compomics
mass-spectrometry proteomics apex-intensity-ms1

elucidatainc / elmaven
mass-spectrometry,LC-MS data processing tool for large-scale metabolomics experiments.
Organization: elucidatainc
Home Page: https://resources.elucidata.io/elmaven/
metabolomics mass-spectrometry lc-ms qt c-plus-plus lc-msms

emsl-computing / corems
mass-spectrometry,CoreMS is a comprehensive mass spectrometry software framework
Organization: emsl-computing
molecular-formulae-assignment molecular-database data-analysis molecular-search metabolomics metabolomics-pipeline complex-mixture natural-organic-matter soil-organic-matter dissolved-organic-matter

fgcz / rawdiag
mass-spectrometry,Brings Orbitrap mass spectrometry data to life; multi-platform, fast and colorful R package
Organization: fgcz
Home Page: https://bioconductor.org/packages/rawDiag
fast multiplatform rpackage mass-spectrometry visualization r orbitrap

fgcz / rawrr
mass-spectrometry,Access Orbitrap data in R lang using C# mono assembly - bioconductor package
Organization: fgcz
Home Page: https://bioconductor.org/packages/rawrr/
fast multiplatform rpackage mass-spectrometry orbitrap-ms

frallain / pymsfilereader
mass-spectrometry,Thermo MSFileReader Python bindings
User: frallain
bioinformatics mass-spectrometry python comtypes-library python-bindings

griquelme / tidyms
mass-spectrometry,TidyMS: Tools for working with MS data in untargeted metabolomics
User: griquelme
mass-spectrometry metabolomics

iomega / spec2vec
mass-spectrometry,Word2Vec based similarity measure of mass spectrometry data.
Organization: iomega
word2vec mass-spectrometry fuzzy-matching fuzzy-search

jpquast / protti
mass-spectrometry,Picotti lab data analysis package.
User: jpquast
Home Page: https://jpquast.github.io/protti/
r proteomics mass-spectrometry data-analysis systems-biology lip-ms omics protein

lazear / sage
mass-spectrometry,Proteomics search & quantification so fast that it feels like magic
User: lazear
Home Page: https://sage-docs.vercel.app
bioinformatics proteomics mass-spectrometry

lgatto / msnbase
mass-spectrometry,Base Classes and Functions for Mass Spectrometry and Proteomics
User: lgatto
Home Page: http://lgatto.github.io/MSnbase/
bioconductor mass-spectrometry r proteomics bioinformatics proteomics-data visualisation

lgatto / rforproteomics
mass-spectrometry,Using R and Bioconductor packages for the analysis and comprehension of proteomics data.
User: lgatto
Home Page: http://lgatto.github.io/RforProteomics
bioconductor bioconductor-packages proteomics-data r proteomics mass-spectrometry tutorial

mannlabs / alphamap
mass-spectrometry,An open-source Python package for the visual annotation of proteomics data with sequence specific knowledge.
Organization: mannlabs
Home Page: https://mannlabs.github.io/alphamap/
mass-spectrometry proteomics peptide-level visualization python gui

mannlabs / alphapept
mass-spectrometry,A modular, python-based framework for mass spectrometry. Powered by nbdev.
Organization: mannlabs
Home Page: https://mannlabs.github.io/alphapept/
mass-spectrometry bioinformatics proteomics alphapept-ecosystem

mannlabs / alphapeptstats
mass-spectrometry,Python Package for the downstream analysis of mass-spectrometry-based proteomics data
Organization: mannlabs
Home Page: https://alphapeptstats.readthedocs.io/en/latest/
mass-spectrometry maxquant proteomics alphapept-ecosystem dia-nn fragpipe msfragger spectronaut

mannlabs / alphatims
mass-spectrometry,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.
Organization: mannlabs
Home Page: https://doi.org/10.1016/j.mcpro.2021.100149
mass-spectrometry dda dia ms lc-tims-msms tof tims python cli gui

massbank / massbank-data
mass-spectrometry,Official repository of open data MassBank records
Organization: massbank
massbank mass-spectrometry repository library

matchms / matchms
mass-spectrometry,Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
Organization: matchms
python3 similarity-measures mass-spectrometry fuzzy-matching fuzzy-search metabolomics analysis

metgem / metgem
mass-spectrometry,Calculation and visualization of molecular networks based on t-SNE algorithm
Organization: metgem
Home Page: https://metgem.github.io
chemistry chemoinformatics mass-spectrometry cosine-similarity networking graph network metabolomics

mobiusklein / ms_deisotope
mass-spectrometry,A library for deisotoping and charge state deconvolution of complex mass spectra
User: mobiusklein
Home Page: https://mobiusklein.github.io/ms_deisotope
mass-spectrometry deisotoping charge-state-deconvolution mzml

monashbioinformaticsplatform / lfq-analyst
mass-spectrometry,The repo for LFQ-Analyst
Organization: monashbioinformaticsplatform
Home Page: https://bioinformatics.erc.monash.edu/apps/LFQ-Analyst/
proteomics shinydashboard mass-spectrometry statistical-analysis

nesvilab / fragpipe
mass-spectrometry,A cross-platform Graphical User Interface (GUI) for running MSFragger and Philosopher - powered pipeline for comprehensive analysis of shotgun proteomics data
Organization: nesvilab
Home Page: http://fragpipe.nesvilab.org
mass-spectrometry proteomics search-engine pipeline gui

nesvilab / msfragger
mass-spectrometry,Ultrafast, comprehensive peptide identification for mass spectrometry–based proteomics
Organization: nesvilab
Home Page: https://msfragger.nesvilab.org
proteomics mass-spectrometry database-search bioinformatics

nesvilab / philosopher
mass-spectrometry,PeptideProphet, PTMProphet, ProteinProphet, iProphet, Abacus, and FDR filtering
Organization: nesvilab
Home Page: https://philosopher.nesvilab.org
bioinformatics proteomics mass-spectrometry ms-data go data-analysis

nf-core / mhcquant
mass-spectrometry,Identify and quantify MHC eluted peptides from mass spectrometry raw data
Organization: nf-core
Home Page: https://nf-co.re/mhcquant
nf-core nextflow peptides mass-spectrometry mhc workflow pipeline openms proteomics

nh2tran / deepnovo
mass-spectrometry,Protein Identification with Deep Learning
User: nh2tran
deep-learning tensorflow sequencing mass-spectrometry dynamic-programming machine-learning peptide-identification

openchrom / openchrom
mass-spectrometry,Visualization and Analysis of mass spectrometric and chromatographic data.
Organization: openchrom
Home Page: https://www.openchrom.net
open-source chromatography mass-spectrometry nmr nmr-spectroscopy

openms / openms
mass-spectrometry,The codebase of the OpenMS project
Organization: openms
Home Page: https://www.openms.de
openms c-plus-plus ms-data mass-spectrometry linux macos windows proteomics analyses algorithms

pfindstudio / pdeep
mass-spectrometry,pDeep: Predicting MS/MS Spectra of Peptides with Deep Learning
Organization: pfindstudio
mass-spectrometry proteomics deep-learning

pmartr / pmartr
mass-spectrometry,The pmartR R package provides functionality for quality control, normalization, exploratory data analysis, and statistical analysis of mass spectrometry (MS) omics data, in particular proteomic (either at the peptide or the protein level), lipidomic, and metabolomic data.
Organization: pmartr
Home Page: https://pmartr.github.io/pmartR/
metabolomics-data peptides mass-spectrometry data-summarization proteins metabolites lipids rna-seq-analysis

pnnl-comp-mass-spec / informed-proteomics
mass-spectrometry,Top down / bottom up, MS/MS analysis tool for DDA and DIA mass spectrometry data
Organization: pnnl-comp-mass-spec
mass-spectrometry mzml ms-datasets

pnnl-comp-mass-spec / thermo-raw-file-reader
mass-spectrometry,.NET DLL wrapper for reading Thermo .Raw files. Uses ThermoFisher.CommonCore NuGet packages provided by Thermo Fisher Scientific
Organization: pnnl-comp-mass-spec
mass-spectrometry ms-spectrum

proteomicsml / proteomicsml
mass-spectrometry,Community-curated tutorials and datasets for ML in proteomics
Organization: proteomicsml
Home Page: https://www.proteomicsml.org
datasets machine-learning mass-spectrometry proteomics tutorials

pymzml / pymzml
mass-spectrometry,pymzML - an interface between Python and mzML Mass spectrometry Files
Organization: pymzml
Home Page: https://pymzml.readthedocs.io/en/latest/
mass-spectrometry mzml-files bioinformatics mzml-interface

qcxms / qcxms
mass-spectrometry,Quantum mechanic mass spectrometry calculation program
Organization: qcxms
Home Page: https://xtb-docs.readthedocs.io/en/latest/qcxms_doc/qcxms.html
computational-chemistry computational-mass-spectrometry mass-spectrometry molecular-dynamics

rformassspectrometry / spectra
mass-spectrometry,Low level infrastructure to handle MS spectra
Organization: rformassspectrometry
Home Page: https://rformassspectrometry.github.io/Spectra/
rstats mass-spectrometry proteomics metabolomics bioconductor

rickhelmus / patroon
mass-spectrometry,Workflow solutions for mass-spectrometry based non-target analysis.
User: rickhelmus
Home Page: https://rickhelmus.github.io/patRoon/
mass-spectrometry non-target r

sgibb / maldiquant
mass-spectrometry,Quantitative Analysis of Mass Spectrometry Data
User: sgibb
Home Page: https://strimmerlab.github.io/software/maldiquant/
r maldi mass-spectrometry r-package cran maldi-tof-ms maldi-ims

sneumann / xcms
mass-spectrometry,This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
User: sneumann
bioconductor metabolomics mass-spectrometry peak-detection feature-detection r

tubanlee / mm
mass-spectrometry,Infer metabolic directions from moment differences of mass-weighted intensity distributions
User: tubanlee
Home Page: https://doi.org/10.5281/zenodo.10616979
annotations mass-spectra mass-spectrometry mass-spectrometry-data mass-spectrum metabolic-flux-analysis metabolic-models metabolic-network metabolic-networks metabolic-pathways

ursgal / ursgal
mass-spectrometry,Ursgal - universal Python module combining common bottom-up proteomics tools for large-scale analysis
Organization: ursgal
proteomics peptide-identification python mass-spectrometry ms-data proteomics-data mzml omics

wfondrie / depthcharge
mass-spectrometry,A deep learning toolkit for mass spectrometry
User: wfondrie
Home Page: https://wfondrie.github.io/depthcharge/
deep-learning framework mass-spectrometry metabolomics proteomics pytorch

xieguigang / mzkit
mass-spectrometry,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.
User: xieguigang
Home Page: https://mzkit.org
visualbasic metadna lc-ms gc-ms kegg metabolomics r-sharp ms-imaging gcxgc maldi