Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
The pmartR R package provides functionality for quality control, normalization, exploratory data analysis, and statistical analysis of mass spectrometry (MS) omics data, in particular proteomic (either at the peptide or the protein level), lipidomic, and metabolomic data.
A Reproducible Untargeted Metabolomics Data Processing Pipeline
R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
MS_targeted is an open-source command-line pipeline for statistical analysis of mass spectrometry metabolomics data.
MetaboDynamics: a framework of probabilistic models to analyze longitudinal metabolomics data
Methods for pre-treatment, modelling/data mining, and correlation analyses of metabolomics data
Perform identifiability analysis in small kinetic models for experimental design using steady state fluxes and concentrations.
REST API for Mass Spectrometry Data Transfer
Analyze enzyme regulation with metabolome data.
MsBackend allowing to retrieve MS data from the MetaboLights repository.
NMR data from intracellular metabolites of S. cerevisae cells
R scripts for the preprocessing of urinary metabolite profiling data from the canine mammary tumors (CMTs)
This is a Python-based web browser application that parses targeted mass spectrometry data from Skyline and converts them into a 2D matrix format, e.g. for statistical analysis
Integration of metagenomics and metabolomics data to explore the dynamics during the alcoholic fermentation process
My professional repository of project and publication data files in computational biology and data science.
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