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.

Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)

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.

Methods for pre-treatment, modelling/data mining, and correlation analyses of metabolomics data

MetaboDynamics: a framework of probabilistic models to analyze longitudinal metabolomics data

Perform identifiability analysis in small kinetic models for experimental design using steady state fluxes and concentrations.

Web API Framework for Mass Spectrometry Data Transfer

MsBackend allowing to retrieve MS data from the MetaboLights repository.

Analyze enzyme regulation with metabolome data.

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)

My professional repository of project and publication data files in computational biology and data science.