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GitHub / Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2023 supported).

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Becksteinlab%2FGromacsWrapper

Stars: 165
Forks: 51
Open Issues: 10

License: gpl-3.0
Language: Python
Repo Size: 11.8 MB
Dependencies: 14

Created: about 14 years ago
Updated: 29 days ago
Last pushed: 6 months ago
Last synced: 22 days ago

Commit Stats

Commits: 1060
Authors: 25
Mean commits per author: 42.4
Development Distribution Score: 0.285
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/Becksteinlab/GromacsWrapper

Topics: gromacs, gromacswrapper, molecular-dynamics, python, science

Files
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    Readme
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    Dependencies
    setup.py pypi
    .github/workflows/black.yaml actions
    .github/workflows/ci.yaml actions
    ci/readthedocs/requirements.txt pypi
    gromacs/setup.py pypi
    pyproject.toml pypi
    ci/readthedocs/environment.yml pypi