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docker-batman

Provides a Docker container for BATMAN, used for the Bayesian analysis of 1D-NMR data

frank

A Fragment Annotation Kit for Mass Spectral Peaks

graphomics

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

likins

metabocraft

A Minecraft plugin for metabolomics

ms2ldaviz

Substructural discovery in untargeted metabolomics data using LDA topic modelling.

pals

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

pybasket

Incorporating omics clustering for Bayesian basket trial design

pybatman

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

pymultiomics

Python toolbox for multi-omics data mapping and analysis

pymultiomics-data

Test data for pyMultiOmics notebooks

pysubstructures

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

shinykgode

An interactive web application for gradient matching methods.

vimms

A programmable and modular LC/MS simulator in Python

vimms-data

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

vimms-gym

A Gym environment to learn mass spectrometry data acquisition using reinforcement learning