Projects in Awesome Lists tagged with metabolomics

https://github.com/openms/openms

The codebase of the OpenMS project

3-clause-bsd algorithms analyses c-plus-plus hacktoberfest linux macos mass-spectrometry metabolomics ms-data openms proteomics windows

Last synced: 30 Oct 2024

https://github.com/wfondrie/depthcharge

A deep learning toolkit for mass spectrometry

deep-learning framework mass-spectrometry metabolomics proteomics pytorch

Last synced: 27 Oct 2024

https://rformassspectrometry.github.io/Spectra/

Low level infrastructure to handle MS spectra

bioconductor mass-spectrometry metabolomics proteomics rstats

Last synced: 01 Aug 2024

https://github.com/molecularcartography/ili

Web-based software for visualization of molecular maps in 2D and 3D

3d-map bootstrap3 cartography chrome-extension javascript mass-spectrometry metabolomics metagenomics spatial-data threejs visualization

Last synced: 12 Oct 2024

https://github.com/yufree/metaworkflow

Online workflow guidelines for metabolomics

bookdown metabolomics workflow

Last synced: 02 Nov 2024

https://rformassspectrometry.github.io/QFeatures/

Quantitative features for mass spectrometry data

bioconductor mass-spectrometry metabolomics proteomics rstats

Last synced: 01 Aug 2024

https://github.com/stanstrup/commonmz

A collection of common mz values found in mass spectrometry.

metabolomics

Last synced: 01 Nov 2024

https://github.com/rformassspectrometry/compounddb

Creating and using (chemical) compound databases

annotation databases mass-spectrometry metabolomics rstats

Last synced: 30 Oct 2024

https://rformassspectrometry.github.io/MsCoreUtils/

Core Utils for Mass Spectrometry Data

bioconductor mass-spectrometry metabolomics proteomics rstats utils

Last synced: 01 Aug 2024

https://github.com/yufree/envigcms

GC/LC-MS data analysis for environmental science

cran environment mass-spectrometry metabolomics r

Last synced: 27 Oct 2024

https://github.com/yufree/xcmsrocker

Rocker image for metabolomics data analysis

docker metabolomics r

Last synced: 27 Oct 2024

https://github.com/stanstrup/predret

Shiny app for retention time prediction

metabolomics

Last synced: 20 Oct 2024

https://github.com/yufree/pmd

Paired Mass Distance(PMD) analysis for GC/LC-MS based nontarget analysis

mass-spectrometry metabolomics non-target

Last synced: 27 Oct 2024

https://github.com/stanstrup/qc4metabolomics

QC systems for metabolomics studies

lc-ms metabolomics metabolomics-studies preprocessing qc-systems xcms

Last synced: 01 Nov 2024

https://github.com/stanstrup/peakabro

Peaklist Annotator and Browser

metabolomics xcms

Last synced: 20 Oct 2024

https://github.com/jorainer/metaboannotationtutorials

Examples and tutorials for the MetaboAnnotation, MetaboCoreUtils and CompoundDb R packages

annotation mass-spectrometry metabolomics

Last synced: 12 Oct 2024

https://github.com/rformassspectrometry/protgenerics

S4 generic functions for Bioconductor mass spectrometry infrastructure

bioconductor mass-spectrometry metabolomics proteomics r

Last synced: 12 Oct 2024

https://github.com/yufree/rmwf

Reproducilble Metabolomics Workflow

mass-spectrometry metabolomics pmdda reproducilble-metabolomics-workflow workflow

Last synced: 27 Oct 2024

https://github.com/yufree/mdaw

Metabolomics Data Analysis Workshop slides

metabolomics slides tutorial workshop xaringan

Last synced: 27 Oct 2024

https://github.com/yufree/pmdda

reproducible repo for PMDDA paper

metabolomics reproducible-paper workflow

Last synced: 02 Nov 2024

https://github.com/bittremieux/gnps_suspect_library

Nearest neighbor suspect spectral library for untargeted metabolomics.

metabolomics

Last synced: 27 Oct 2024

https://github.com/idslme/idsl.mxp

A light weight and fast parser for reading mzML, mzXML and netCDF data files

exposome gc-ms-data lc-ms-data lipidomics mass-spectrometry metabolomics mzml mzxml netcdf r

Last synced: 26 Oct 2024

https://github.com/jorainer/xcmstutorials

Tutorials and workshops describing LC-MS(/MS) data pre-processing and analysis using the xcms Bioconductor package

lc-ms metabolomics

Last synced: 12 Oct 2024

https://github.com/cypriengille/supervised-autoencoder

A supervised autoencoder with structured sparsity for efficient and informed clinical prognosis.

autoencoder feature-selection interpretability metabolomics metabolomics-database prognostic-score sparsity supervised-learning

Last synced: 14 Oct 2024

https://github.com/yufree/mzrtsim

Raw data and peaks list simulation for GC/LC-MS based data

metabolomics mzml simulation

Last synced: 27 Oct 2024

https://github.com/yufree/enet

network analysis for exposure study

exposomics metabolomics network-analysis

Last synced: 02 Nov 2024

https://github.com/egonw/metabolomics-practical

databases identification metabolomics

Last synced: 13 Oct 2024

https://github.com/lgatto/2020-msnbase-v2

MSnbase v2 paper

bioconductor mass-spectrometry massspectrometry metabolomics msnbase proteomics

Last synced: 12 Oct 2024

https://github.com/yufree/metarss

RSS for metabolomics research

blogdown literature metabolomics r rss

Last synced: 02 Nov 2024

https://github.com/lgatto/2020_05_07_mayinstitute

Notes from my talk at the (remote) May Institute 2020

bioconductor mass-spectrometry metabolomics msnbase msnbaseboxcar proteomics r talk

Last synced: 12 Oct 2024

https://github.com/egonw/metawinterschool-bigcat

#metawinterschool contribution by BiGCaT

bridgedb metabolomics pathvisio wikipathways

Last synced: 13 Oct 2024

https://github.com/ewissel/hf_metabolomics_metaanalysis

This is a public repo to accompany the paper submission and meta-analysis of untargeted metabolomics data from heart failure patients.

bioinformatics heartfailure metabolomics microbiome opls r

Last synced: 28 Oct 2024