yguitton Goto Github PK

alsace

ALS for Automatic Chemical Exploration of mixtures

autonoms

RealTime Ms analysis

bibbase.github.io

BibBase Example Page

bika-lims

Web-based Laboratory Information Management System

bioconda-recipes

Conda recipes for the bioconda channel.

chromconverter

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

commonmz

A collection of common mz values found in mass spectrometry.

cp-seeker

CP-Seeker is dedicated to the post-acquisition processing, visualization and analysis of ion signals from polychlorinated alkanes (PCAs) and related chemical families within chromatography–high resolution mass spectrometry (HRMS) data sets.

extractioncomparison

Scripts to produce figures for "Comparison of extraction methods for intracellular metabolomics"

falcon

Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.

lobstahs

Git repo for R package "LOBSTAHS" (Lipid and Oxylipin Biomarker Screening Through Adduct Hierarchy Sequences)

m2s

Package to match untargeted LC-MS metabolomics features between two datasets

massformer

Tandem Mass Spectrum Prediction with Graph Transformers

mehalocoa

R package dedicated to halogen-containing compounds detection in LC-hrMS

mehalocoagalaxy

Galaxy warper for MeHaloCoA

metaboextract

ShinyApp: resource to compare ten extraction methods among four tissues for intracellular metabolic measurements.

metaboprep

a pipeline of metabolomics data processing and quality control

metaboseek

Interactive software to analyze and browse mass spectrometry data

metams

data processing for MS-based metabolomics

metamsdata

Example data for the metaMS package

ms-lima-standard

Mass spectral library manager

ms2tonlconverter

MS2 to NL Converter

msbrowser

An RShiny dashboard for visualisation of mass spectrometry (MS) data and fine-tuning of xcms pre-processing parameters

mseasy

Mseasy creation sand box

mseasytkgui

R package for MSeasy User Interface

msnbase

Base Classes and Functions for Mass Spectrometry and Proteomics

msp2db-galaxy

Galaxy tool for msp2db

mspurity-galaxy

Galaxy tools for msPurity package: includes precursor ion purity calculations and spectral matching

mzxml-precursor-corrector

noreva

R Package for Systematic Optimization of Metabolomic Data Processing