Stars
hechth / MS-LIMA-Standard
Forked from tipputa/MS-LIMA-StandardMass spectral library manager
Validation of small molecule annotations
Low level infrastructure to handle MS spectra
Small Molecule Mass Spectrometry Data Post-Processing, Quality Control, Exploration and Reporting
High level functionality to support and simplify metabolomics data annotation.
Repository of R code, functions and shiny apps that are useful in the daily life of a mass spectrometrist
Retrieving Information of Proteins from Uniprot
Utility functions to perform batch centroiding of profile mzML files using MSnbase
SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
Scalable and self-optimizing processing workflow for untargeted LC-MS
A collection of awesome lipidomics tools and resources
michaelwitting / wormjam
Forked from wormjam-consortium/wormjamWebsite/Repository containing the WormJam genome scale model
R/Bioconductor package - STRUCT: STatistics in R Using Class Templates
MetaboIGNITER / metaboigniter
Forked from nf-core/metaboigniterPre-processing of mass spectrometry-based metabolomics data with quantification and identification based on MS1 and MS2 data
Pre-processing of mass spectrometry-based metabolomics data with quantification and identification based on MS1 and MS2 data.
These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconductor package.
The consensus GEM for Saccharomyces cerevisiae
A package to cluster and visualise MS/MS spectral data
The generic genome-scale metabolic model of Homo sapiens
ModelPolisher accesses the BiGG Models knowledgebase to annotate SBML models.
Utility functions frequently used in analyses of the Computational Metabolomics Team