Beast code in Giters

Lukas Baldauf's repositories

Generate coarse-grained alginate and chitosan topology files for gromacs

Language:PythonMIT1 10

Create ensemble-average partial charge input files for NWChem compatible with the GLYCAM force field.

Language:Python010

Molecular simulation in Julia

Language:JuliaNOASSERTION000

A python code for calculating correlation functions on the fly or sequentially

Language:Python010

Kinetic parameter estimation of thermogravimetric data.

Language:PythonMIT01 1

Estimate kinetic parameters from TGA data

Language:Julia020

TurtleMD is a slow molecular dynamics software for testing.

Language:PythonMIT000