Repositories list

• ISTOCSY

  Public
  Interactively explore the correlations between features in metabolomics datasets

  Python

  •0•2•2•0•Updated Mar 4, 2026Mar 4, 2026

• npc-open-lcms

  Public
  MIT License

  •2•9•0•0•Updated Nov 12, 2025Nov 12, 2025

• peakPantheR

  Public
  On-instrument and post-acquisition targeted feature extraction

  feature-detectionmetabolomicsmass-spectrometry

  feature-detectionmetabolomicsmass-spectrometry

  R

  •1•13•1•2•Updated Sep 27, 2025Sep 27, 2025

• nPYc-Toolbox

  Public
  The nPYc-Toolbox defines objects for representing, and implements functions to manipulate and display, metabolic profiling datasets.

  quality-controlmetabolomicsmetabolic-phenotyping

  quality-controlmetabolomicsmetabolic-phenotyping

  Python

  •

  MIT License

  •8•25•41•0•Updated Aug 8, 2025Aug 8, 2025

• nPYc-toolbox-dementia-tutorials

  Public
  Tutorials for public workshops

  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Nov 27, 2024Nov 27, 2024

• npc-standard-project

  Public
  A set of standardised project descriptions and data for use in unit-tests and development.

  0•0•0•0•Updated Aug 13, 2024Aug 13, 2024

• nPYc-toolbox-tutorials

  Public
  Jupyter notebook tutorials for the nPYc toolbox

  quality-controlmetabolomicsmetabolic-phenotyping+ 1

  quality-controlmetabolomicsmetabolic-phenotypingnpyc-toolbox

  Jupyter Notebook

  •

  MIT License

  •3•3•0•1•Updated Jun 17, 2024Jun 17, 2024

• peakPantheR.github.io

  Public
  0•0•0•0•Updated Nov 4, 2023Nov 4, 2023

• phenomedb

  Public
  JavaScript

  •0•0•0•0•Updated Mar 22, 2023Mar 22, 2023

• isaExplorer

  Public
  Tools for exploring ISA-format (http://www.isacommons.org) study descriptions

  Python

  •

  MIT License

  •1•0•0•1•Updated Dec 27, 2022Dec 27, 2022

• metabotyping-dementia-urine

  Public
  R

  •

  MIT License

  •1•3•0•0•Updated Jun 25, 2021Jun 25, 2021

• SMolESY_platform

  Public
  A tool for transforming 1H-NMR spectra into "SMolESY" - Aligning, Integrating, bucketing for a full implementation of SMolESY into NMR-based metabolomics pipeli…

  MATLAB

  •

  Other

  •0•0•0•0•Updated Feb 11, 2021Feb 11, 2021

• massFlowR

  Public
  Real-time/post-acquisition untargeted LC-MS pre-processing

  R

  •1•0•0•0•Updated Apr 27, 2020Apr 27, 2020

• outreach-demos

  Public
  Collection of demos for use in outreach activities

  Jupyter Notebook

  •0•0•0•0•Updated Nov 11, 2019Nov 11, 2019

• pyChemometrics

  Public
  pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •15•1•0•0•Updated Feb 22, 2018Feb 22, 2018

• mass-flowR

  Public
  Peak-picking and component building

  0•0•0•0•Updated Jan 16, 2018Jan 16, 2018