Lukas Baldauf's repositories
ensemble-average-q
Create ensemble-average partial charge input files for NWChem compatible with the GLYCAM force field.
Molly.jl
Molecular simulation in Julia
Language:JuliaNOASSERTION000
multiple-tau
A python code for calculating correlation functions on the fly or sequentially
tga-kinetics
Kinetic parameter estimation of thermogravimetric data.
tga-kinetics.jl
Estimate kinetic parameters from TGA data
turtlemd
TurtleMD is a slow molecular dynamics software for testing.
Language:PythonMIT000