Updated 11 months ago
lintf2_ether_ana_postproc
Analysis postprocessing utilities for my molecular dynamics simulations of LiTFSI-Ether mixtures
Updated 11 months ago
basicrta
Bayesian nonparametric inference of ligand binding kinetics from molecular dynamics simulations.
Updated 11 months ago
mdtools
Scripts to prepare and analyze molecular dynamics simulations
computational-biology
computational-chemistry
computational-physics
computational-science
gplv3
materials-science
mdanalysis
molecular-dynamics
molecular-dynamics-simulation
molecular-mechanics
molecular-modeling
molecular-simulation
python-scripts
python3
science
scripts-collection
trajectory-analysis