marvinbernhardt's repositories
gromacstools
Python functions for scripting around gromacs
postbank2csv
Convert Postbank account statements to a csv file
nextcloud-userlist
Nextcloud app to show list of local users
lammps2trr
Convert a lammps dump with positions and velocities to a gromacs trr trajectory
residence-time
Calculate residence time from gromacs selection data
csg-tutorials
VOTCA-CSG coarse-graining tutorials
ion-water-potentials
Ion-water potentials that were found by optimizing the ion-water RDF to match AIMD results
libxdrfile
Fork of library used in reading xtc files from GROMACS simulations
marvinbernhardt
GitHub Profile
mind
A Minimal Lennard-Jones Fluid Molecular Dynamics Python Program
monkeypox-europe-dashboard
A dashboard showing monkeypox cases in european countries over time
mts
Maxwell's thermodynamic surface - an interactive model
spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
votca
The source of the votca-csg and xtp packages
wallforce
An analysis tool for gromacs trajectories that computes the average force a harmonic wall applies on a selection of molecules/atoms
xfce4-terminal-colorswitch
Change the colorscheme of the Xfce Terminal