Ecosyste.ms: Packages

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conda-forge.org : gromacswrapper

GromacsWrapper is a Python package that wraps system calls to GROMACS tools into thin classes. This allows for fairly seamless integration of the GROMACS tools into Python scripts.

Registry - Source - JSON
purl: pkg:conda/gromacswrapper
Keywords: gromacs, gromacswrapper, molecular-dynamics, python, science
License: CNRI-Python-GPL-Compatible
Latest release: over 1 year ago
First release: over 1 year ago
Dependent packages: 1
Stars: 142 on GitHub
Forks: 47 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 11 days ago

dpgen 0.10.6

The deep potential generator to generate a deep-learning based model of interatomic potential ene...
10 versions - Latest release: over 1 year ago - 208 stars on GitHub