8000 MetabolomicsHK repositories · GitHub
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    • LipidMS3

      Public
      LipidMS R package (v.3.0)
      R
      2000Updated Feb 23, 2024Feb 23, 2024
    • GNU General Public License v3.0
      1000Updated Feb 15, 2023Feb 15, 2023
    • R Scripts to analyze deep lab cut point data and related data
      R
      GNU General Public License v3.0
      18000Updated Jan 25, 2023Jan 25, 2023
    • Creating and using (chemical) compound databases
      R
      16000Updated Mar 1, 2022Mar 1, 2022
    • The similarity score for spectral comparison
      Python
      Apache License 2.0
      37000Updated Feb 27, 2022Feb 27, 2022
    • Repository for MetaboShiny, a novel R and RShiny based metabolomics data analysis package.
      R
      Apache License 2.0
      10000Updated Feb 15, 2022Feb 15, 2022
    • Parsing metabolomics databases with publically available resources
      R
      4000Updated Feb 9, 2022Feb 9, 2022
    • RawHummus

      Public
      QC Check Tool for Metabolomics
      R
      1000Updated Jan 26, 2022Jan 26, 2022
    • Improve XCMS with dynamic theory
      R
      Other
      1000Updated Jan 20, 2022Jan 20, 2022
    • NetID

      Public
      A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery
      HTML
      GNU General Public License v3.0
      26000Updated Sep 15, 2021Sep 15, 2021
    • Python
      MIT License
      19000Updated Jul 25, 2021Jul 25, 2021
    • REINVENT

      Public
      Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
      Python
      MIT License
      116000Updated Jul 20, 2021Jul 20, 2021
    • Shiny-Tool for investigation of metabolite-covariate relationships
      R
      GNU General Public License v3.0
      4000Updated Jun 24, 2021Jun 24, 2021
    • Python
      MIT License
      8000Updated Mar 27, 2021Mar 27, 2021
    • mineCETSA

      Public
      Processing and Visualization of Proteome-wide MS-CETSA data
      R
      2000Updated Feb 20, 2021Feb 20, 2021
    • R
      1000Updated Nov 27, 2020Nov 27, 2020
    • Defined MRM transitions from untargeted metabolomics data
      MATLAB
      11000Updated Sep 16, 2020Sep 16, 2020
    • LiP-Quant

      Public
      Script for the unbiased analysis of LiP data (https://www.biorxiv.org/content/10.1101/860072v1)
      R
      MIT License
      4000Updated Aug 26, 2020Aug 26, 2020
    • A Correction Algorithm For Natural Isotope Abundance Contributions
      R
      3000Updated Jul 13, 2020Jul 13, 2020
    • lipID

      Public
      Fast Lipid Identification from MS/MS spectra
      R
      Other
      3000Updated Jul 2, 2020Jul 2, 2020
    • TarMet

      Public
      An R package and Shiny App for MS-Based Targeted Metabolic Analyses
      R
      GNU General Public License v3.0
      3000Updated May 19, 2020May 19, 2020
    • cfmR

      Public
      R Wrapper for calling the Competitive Fragmentation Modeling for Metabolite Identifiction (CFM-ID) algorithm.
      R
      1000Updated May 8, 2020May 8, 2020
    • assayR

      Public
      R
      1000Updated Apr 29, 2020Apr 29, 2020
    • geoRge

      Public
      geoRge: a computational tool for stable isotope labelling detection in LC/MS-based untargeted metabolomics
      R
      GNU General Public License v3.0
      6000Updated Apr 2, 2020Apr 2, 2020
    • ncGTW

      Public
      Profile Alignment by Neighbor-wise Compound-specific Graphical Time Warping with Misalignment Detection
      R
      2000Updated Dec 30, 2019Dec 30, 2019
    • R
      1000Updated Nov 22, 2019Nov 22, 2019
    • SetupVPN-Lifetime-FreeVPN-3.7.0
      JavaScript
      9000Updated Nov 4, 2019Nov 4, 2019
    • Miso

      Public
      R package for Multi-isotope Labeling for Metabolomics Analysis
      R
      1000Updated Jul 18, 2019Jul 18, 2019
    • SIMAT_GC

      Public
      R
      1100Updated Jun 7, 2019Jun 7, 2019
    • R
      4000Updated Jun 1, 2019Jun 1, 2019
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