The pmartR R package provides functionality for quality control, normalization, exploratory data analysis, and statistical analysis of mass spectrometry (MS) omics data, in particular proteomic (either at the peptide or the protein level), lipidomic, and metabolomic data.

• UpdatedMar 13, 2025
• R

A Python toolkit for the analyis of lipid membrane simulations

• UpdatedMar 13, 2025
• Python

Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.

• UpdatedMay 12, 2021
• Python

💻 Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.

• UpdatedDec 20, 2022
• Python

Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (bottom-up) and experimental data (top-down)

• UpdatedJun 6, 2023
• Python

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.

• UpdatedApr 29, 2021
• Python

A collection of tools for characterizing membrane structure and dynamics within simulated trajectories of molecular systems.

• UpdatedFeb 26, 2025
• C++

MolMeDB is an open chemistry database about interactions of molecules with membranes.

• UpdatedSep 18, 2024
• JavaScript

ADViSELipidomics is a novel Shiny app for the preprocessing, analysis, and visualization of lipidomics data.

• UpdatedMar 17, 2023
• R

A molecular dynamics approach to study the permeation of nanoparticles through lipid bilayer

• UpdatedJan 28, 2023
• Shell

The ProLint Webserver

• UpdatedJun 8, 2021
• JavaScript

Biochemistry DIY board game

• UpdatedNov 11, 2024

Code for an analysis of the association of lipid regulating agents (e.g. statins) with incidence of dementia outcomes

• UpdatedOct 13, 2021
• Stata

LORA: Lipid Over-Representation Analysis

• UpdatedMar 14, 2024
• Python

Calculate lipid order parameters from Gromacs simulations

• UpdatedMar 18, 2025
• Rust

The purpose of the study was to look at the causal relationships between lipid profiles (TG, HDL, and LDL) and diseases, drugs, and lifestyle choices. MR analysis was used and applied to GWAS from the UK Biobank to examine these associations using analysis software RStudio.

• UpdatedFeb 14, 2024
• R

Data, scripts, and figures for "Homeocurvature adaptation of phospholipids to pressure in deep-sea invertebrates"

• UpdatedMay 10, 2024
• R

Quantify lipids using a feature table and internal standards table

• UpdatedJul 20, 2018
• R

Set of python scripts to extend the capabilities of the LIPMIX software for analyzing small-angle scattering data from lipid systems (as part of the ATSAS package).

• UpdatedSep 23, 2022
• Python

Upadtes to B.sc. project, creating a lipid heatmap for lipidomics data. Read further on bio on B.Sc. programs.

• UpdatedFeb 10, 2025
• R