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GitHub / BSC-CNS-EAPM / AdaptivePELE

AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/BSC-CNS-EAPM%2FAdaptivePELE

Stars: 14
Forks: 13
Open Issues: 0

License: mit
Language: Python
Repo Size: 34.8 MB
Dependencies: 15

Created: over 7 years ago
Updated: 9 months ago
Last pushed: 7 months ago
Last synced: 20 days ago

Commit Stats

Commits: 2001
Authors: 15
Mean commits per author: 133.4
Development Distribution Score: 0.42
More commit stats: https://commits.ecosyste.ms/hosts/GitHub/repositories/BSC-CNS-EAPM/AdaptivePELE

Topics: molecular-dynamics, molecular-simulation, monte-carlo-simulation, reinforcement-learning

Files
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    Readme
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    Dependencies
    requirements.txt pypi
    setup.py pypi
    .github/workflows/conda-deployment.yml actions
    .github/workflows/python-publish.yml actions
    AdaptivePELE/atomset/setup.py pypi
    AdaptivePELE/freeEnergies/oldScripts/setup.py pypi