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Metadynamics Python Packages

Python packages with the GitHub topic metadynamics. Sorted by relevance, with stars and monthly downloads.
Jan8be
metadynminer

Python package for efficient analysis of HILLS files generated by Plumed metadynamics simulations.

623 22 5
RedesignScience
cvpack

Useful Collective Variables for OpenMM

586 18 2
Komputerowe-Projektowanie-Lekow
pmarlo

https://pypi.org/project/pmarlo/

332 1 0
jcwang587
xdatbus

Python package for enhancing VASP AIMD simulations and analysis

125 13 2
    • Data from PyPI, GitHub, ClickHouse, and BigQuery