glasgowcompbio

A programmable and modular LC/MS simulator in Python

Substructural discovery in untargeted metabolomics data using LDA topic modelling.

Interactive multi-omics data explorer to integrate and interactively explore transcripts, proteins and metabolites data.

A Python package to perform unsupervised discoveries of motifs from tandem mass spectrometry data.

Incorporating omics clustering for Bayesian basket trial design

Python toolbox for multi-omics data mapping and analysis

A pipeline to infer metabolite concentrations from 1D NMR data using BATMAN (Bayesian AuTomated Metabolite Analyser for NMR)

Ranking metabolite (and other omics sets) by their activity levels via SVD

Test data for pyMultiOmics notebooks

A repo to store data needed by ViMMS demo and example notebooks