Computational Metabolomics Research Group

32 followers
University of Birmingham, United Kingdom
https://www.birmingham.ac.uk/schools/biosciences/staff/profile.aspx?ReferenceId=156564&Name=dr-ralf-weber
r.j.weber@bham.ac.uk

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structToolbox structToolbox Public

R/Bioconductor package - STRUCT (STatistics in R Using Class Templates) Toolbox: An extensive set of data (pre-)processing and analysis methods and tools for metabolomics and other omics,

R 11 4
msPurity msPurity Public

A Bioconductor R package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics

HTML 16 4
MetMashR MetMashR Public

A Bioconductor R package that can be used to import, clean, filter, prioritise, combine and otherwise "mash" together metabolite annotations from multiple sources.

R 3
dimspy dimspy Public

Python package for processing direct-infusion mass spectrometry-based metabolomics and lipidomics data

Python 22 10

Repositories

MetMashR Public
A Bioconductor R package that can be used to import, clean, filter, prioritise, combine and otherwise "mash" together metabolite annotations from multiple sources.

computational-metabolomics/MetMashR's past year of commit activity

R 3 0 0 0 Updated Oct 2, 2026
MsBackendParquet Public
MsBackendParquet is a Bioconductor backend that stores and accesses mass spectrometry data efficiently using the Apache Parquet file format.

computational-metabolomics/MsBackendParquet's past year of commit activity

R 1 1 0 1 Updated Sep 27, 2026
xcms Public Forked from sneumann/xcms
This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis

computational-metabolomics/xcms's past year of commit activity

R 0 84 0 0 Updated Sep 24, 2026
lcmsPlot Public
lcmsPlot: An R Bioconductor package for plotting and interacting with LC-MS data, featuring chromatograms, mass spectra, and more.

computational-metabolomics/lcmsPlot's past year of commit activity

R 3 GPL-3.0 1 9 0 Updated Sep 24, 2026
bioconda-recipes Public Forked from bioconda/bioconda-recipes
Conda recipes for the bioconda channel.

computational-metabolomics/bioconda-recipes's past year of commit activity

Shell 0 MIT 4,151 0 0 Updated Sep 17, 2026
ms-pred Public Forked from coleygroup/ms-pred
Predicting tandem mass spectra from molecules

computational-metabolomics/ms-pred's past year of commit activity

Jupyter Notebook 0 MIT 40 0 0 Updated Sep 15, 2026
beamspy Public
BEAMSpy - Birmingham mEtabolite Annotation for Mass Spectrometry (Python Package)

computational-metabolomics/beamspy's past year of commit activity

Python 19 GPL-3.0 5 1 0 Updated Sep 15, 2026
cliqueMS Public Forked from osenan/cliqueMS
Annotation of in source LC/MS data

computational-metabolomics/cliqueMS's past year of commit activity

R 0 8 0 0 Updated Sep 4, 2026
staged-recipes Public Forked from conda-forge/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks

computational-metabolomics/staged-recipes's past year of commit activity

Python 0 BSD-3-Clause 6,401 0 0 Updated Aug 26, 2026
msbuddy Public Forked from Philipbear/msbuddy
a python package for molecular formula analysis in MS-based small molecule studies

computational-metabolomics/msbuddy's past year of commit activity

Python 0 Apache-2.0 10 0 0 Updated Aug 24, 2026