Projects in Awesome Lists tagged with gromacswrapper

A curated list of projects in awesome lists tagged with gromacswrapper .

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https://github.com/becksteinlab/gromacswrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

gromacs gromacswrapper molecular-dynamics python science

Last synced: 08 Apr 2025

https://github.com/becksteinlab/mdpow

Calculation of water/solvent partition coefficients with Gromacs.

free-energy gromacs gromacswrapper molecular-dynamics python science

Last synced: 09 Apr 2025

https://github.com/becksteinlab/numkit

Numerical first aid kit (with numpy/scipy).

gromacswrapper python science

Last synced: 23 Apr 2025

https://github.com/becksteinlab/gromacswrapper.analysis

Legacy code from GromacsWrapper: gromacs.analysis module

gromacswrapper python science

Last synced: 24 Feb 2025