This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
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Feb 2, 2026 - R
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metabolomics
Here are 181 public repositories matching this topic...
Compare different differential abundance and expression methods
metagenomics rnaseq auc proteomics metabolomics microbiome false-positive-control differential-expression 16s otu marker-gene-analysis relative-abundances compare-methods differential-abundance-methods
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Mar 8, 2022 - R
Infer metabolic directions from moment differences of mass-weighted intensity distributions
annotations moment metabolomics mass-spectrometry moments metabolic-models metabolic-network metabolic-engineering mass-spectrum metabolic-pathways metabolic-flux-analysis mass-spectra mass-spectrometry-data metabolic-networks
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Feb 9, 2024 - R
Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
r cheminformatics open-data open-science rstats metabolomics r-package chromatography hplc fair-data metabolomics-data gc-fid hplc-dad hplc-uv
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Nov 24, 2025 - R
Low level infrastructure to handle MS spectra
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Feb 4, 2026 - R
Model-based Genomically Informed High-dimensional Predictor of Microbial Community Metabolic Profiles
machine-learning tools public metagenomics bioconductor microbial-communities metabolomics microbiome multi-omics biobakery metabolite-prediction metabolite-compounds
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Mar 26, 2024 - R
Retip - Retention Time prediction for metabolomics
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Jun 6, 2024 - R
Galaxy tools for metabolomics maintained by Workflow4Metabolomics
nmr galaxy metabolomics mass-spectrometry galaxy-project workflow4metabolomics usegalaxy gcms lcms metabolomics-pipeline
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Jan 20, 2026 - R
Chemical Similarity Enrichment analysis of metabolomics datasets
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Jul 19, 2024 - R
Quantitative features for mass spectrometry data
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Jan 9, 2026 - R
RHermes is a semi-targeted metabolomics package to deeply characterize biological and environmental samples.
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Jun 4, 2025 - R
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Nov 30, 2023 - R
metaX: a flexible and comprehensive software for processing omics data.
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Jun 16, 2023 - R
Guide to processing raw LCMS metabolomic and lipidomic data using MS-DIAL, followed by data pre-processing and secondary annotation (of metabolites) in R.
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Feb 5, 2024 - R
Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).
bioinformatics r cheminformatics reproducible-research open-data open-science metabolomics r-package reproducibility chromatography hplc gc-fid hplc-dad hplv-uv hplc-pda
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Feb 3, 2026 - R
Interactive software to analyze and browse mass spectrometry data
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Jul 3, 2025 - R
Creating and using (chemical) compound databases
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Jan 28, 2026 - R
🍎 Web-based User-friendly Workflow for Metabolomics and Proteomics Data Analysis
visualization gui bioinformatics r shiny exploratory-data-analysis statistical-analysis proteomics metabolomics mass-spectrometry shiny-apps shinydashboard pre-processing
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May 3, 2023 - R
High level functionality to support and simplify metabolomics data annotation.
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Oct 16, 2025 - R
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