Data toolkits for processing NMR, MALDI MSI, MALDI single cell, Raman Spectroscopy, LC-MS and GC-MS raw data, chemoinformatics data analysis and data visualization.

Data Mining and Analysis of Lipidomics datasets in R

pyQms, generalized, fast and accurate mass spectrometry data quantification

metaX: a flexible and comprehensive software for processing omics data.

Maven GUI: Metabolomics Analysis and Visualization Engine

A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data

Guide to processing raw LCMS metabolomic and lipidomic data using MS-DIAL, followed by data pre-processing and secondary annotation (of metabolites) in R.

Python module for lipidomics LC MS/MS data analysis

Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidomics, exposomics, and environmental studies.

LipidLynxX provides the possibility to convert, cross-match, and link various lipid annotations to the tools supporting lipid ontology, pathway, and network analysis aiming systems-wide integration and functional annotation of lipidome dynamics in health and disease.

A collection of awesome lipidomics tools and resources

Goslin is the Grammar on succinct lipid nomenclature.

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

LipidHunter is capable to perform bottom up identification of lipids from LC-MS/MS and shotgun lipidomics data by resembling a workflow of manual spectra annotation. LipidHunter generates interactive HTML output with its unique six-panel-image, which provides an easy way to review, store, and share the identification results.

United Formula Annotation (UFA) for LC-HRMS data

This project aims at defining a set of guidelines for reproducible mass spectrometry-based experiments.

Alzheimer's Disease Neuroimaging Initiative: Untargeted Lipidomics Analysis

A light weight and fast parser for reading mzML, mzXML and netCDF data files

R package for Analyzing Lipidomic Datasets

The R-language bindings for mzTab-M