PyRank

Collective Variables Python Packages

Python packages with the GitHub topic collective-variables. Sorted by relevance, with stars and monthly downloads.
luigibonati
mlcolvar

Machine learning collective variables for enhanced sampling

671 137 36
RedesignScience
cvpack

Useful Collective Variables for OpenMM

632 18 2
zwpku
colvars-finder

Find collective variables (CVs) by training neural networks.

455 3 0