Scientific Software
Updated 11 months ago
buildH
buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters - Published in JOSS (2021)
Scientific Software · Peer-reviewed
Updated 10 months ago
pmartr
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.
Updated 10 months ago
https://github.com/p-j-smith/lipyphilic
A Python toolkit for the analyis of lipid membrane simulations
Updated 11 months ago
basicrta
Bayesian nonparametric inference of ligand binding kinetics from molecular dynamics simulations.