Projects in Awesome Lists tagged with lipidomics

https://github.com/idslme/idsl_mint

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

cheminformatics lipidomics mass-spectrometry metabolomics molecular-fingerprints msms python3 pytorch rdkit small-molecule transformer untargeted-metabolomics

Last synced: 23 Apr 2025

https://github.com/saezlab/lipyd

Python module for lipidomics LC MS/MS data analysis

lc-msms lipidomics openms python

Last synced: 14 Apr 2025

https://github.com/idslme/idsl.ipa

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

cran exposome feature-detection lipidomics mass-spectrometry metabolomics peak-detection peak-picking r small-molecule untargeted-metabolomics

Last synced: 23 Apr 2025

https://github.com/idslme/idsl.ufa

United Formula Annotation (UFA) for LC-HRMS data

cran exposome isotopic-distribution-calculations lipidomics mass-spectrometry metabolomics molecular-formulae-assignment small-molecule

Last synced: 23 Apr 2025

https://github.com/barupal/adni

Alzheimer's Disease Neuroimaging Initiative: Untargeted Lipidomics Analysis

adni alzheimers-disease lcms lipidomics mass-spectrometry metabolomics

Last synced: 23 Apr 2025

https://github.com/idslme/idsl.mxp

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

exposome gc-ms-data lc-ms-data lipidomics mass-spectrometry metabolomics mzml mzxml netcdf r

Last synced: 21 Apr 2025

https://github.com/sysbiochalmers/slimer

Collection of scripts for improving lipid constraints in yeast-GEM

data-integration lipidomics systems-biology yeast

Last synced: 03 Dec 2024

https://github.com/systemsomicslab/ms2lipid

MS2Lipid is a lipid subclass prediction program using machine learning and curated tandem mass spectral data.

lipidomics machine-learning

Last synced: 11 Apr 2025

https://github.com/idslme/idsl.ufax

Exhaustive Formula Annotation from ions to formula

cran elemental-composition exposome isotopic-distribution-calculations lipidomics mass-spectrometry metabolomics molecular-formulae-assignment

Last synced: 23 Apr 2025

https://github.com/cpanse/cosmiq

This is a read-only mirror of the Bioconductor SVN repository. Package Homepage: http://bioconductor.org/packages/devel/bioc/html/cosmiq.html Contributions: http://www.bioconductor.org/packages/devel/bioc/html/cosmiq.html. Bug Reports: https://support.bioconductor.org/p/new/post/?tag_val=cosmiq.

gcms lcms lipidomics metabolomics quantification

Last synced: 03 Apr 2025