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PinnedLoading

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 10 4

msPurity

Public

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

HTML 16 4

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 2

dimspy

Public

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

Python 21 10

Showing 10 of 48 repositories

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 1GPL-3.00 5 0 UpdatedOct 23, 2025
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 20 0 0 UpdatedOct 3, 2025
dmagna-dma-paper Public
DMA of D. magna - data analysis code for paper
computational-metabolomics/dmagna-dma-paper’s past year of commit activity
R0GPL-3.00 0 0 UpdatedOct 1, 2025
dmagna-dma-galaxy-workflows Public
DMA of D. magna - Galaxy workflows
computational-metabolomics/dmagna-dma-galaxy-workflows’s past year of commit activity
0GPL-3.00 0 0 UpdatedOct 1, 2025
mogi-docs Public archive
⚠️ 🚫 [DEPRECATED] see README for more details.
computational-metabolomics/mogi-docs’s past year of commit activity
HTML 1GPL-3.0 1 0 0 UpdatedSep 19, 2025
cameraDIMS Public archive
⚠️ 🚫 [DEPRECATED] - Modification of R CAMERA package to work with DIMS peaklist
computational-metabolomics/cameraDIMS’s past year of commit activity
R0GPL-2.00 0 0 UpdatedAug 19, 2025
struct Public
R/Bioconductor package - STRUCT: STatistics in R Using Class Templates
computational-metabolomics/struct’s past year of commit activity
R 5GPL-3.00 9 0 UpdatedAug 11, 2025
lcfrac-galaxy Public
Galaxy tool to combine the spectra and annotation from an LC-MS(/MS) fractionation experiment
computational-metabolomics/lcfrac-galaxy’s past year of commit activity
HTML0GPL-3.00 0 0 UpdatedAug 8, 2025
msnpy-galaxy Public
Galaxy tools for Python package MSnPy: data-processing and annotating MSn-based metabolomics and lipidomics data"
computational-metabolomics/msnpy-galaxy’s past year of commit activity
1GPL-3.00 0 0 UpdatedAug 5, 2025
dmatools-galaxy Public
General Galaxy tools developed for the DMA project
computational-metabolomics/dmatools-galaxy’s past year of commit activity
HTML 1GPL-3.00 0 0 UpdatedJul 31, 2025