lipidomics

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

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

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

pyQms, generalized, fast and accurate mass spectrometry data quantification

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

Maven GUI: Metabolomics Analysis and Visualization Engine

Python module for lipidomics LC MS/MS data analysis

Three pre-flight checks before building a graph over lipid structures: relational field coverage, molecular fingerprint saturation, and co-occurrence null models.

A collection of awesome lipidomics tools and resources

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.

MASSter public distribution

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

Goslin is the Grammar on succinct lipid nomenclature.

profiler desktop versions

Latent-space representation learning for high-dimensional, low-sample-size omics. Pre-train an autoencoder on a discovery cohort, freeze the encoder, adapt the head. Binary/multiclass/multilabel heads. Cross-cohort transfer today; cross-modal latent alignment is the roadmap.

🧬 BioMCP — bioinformatics MCP server: 83 tools · 43 databases · PubMed/NCBI/BLAST/PDB/UniProt/enrichment · `pip install biomcp-server` · 生信 MCP 服务器

R package for Analyzing Lipidomic Datasets

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.

Spatial Analysis of Multiomics Measurement in R