semvec/pypi-packages huggingface dataset:
pymbar 4.0.3
Python implementation of the multistate Bennett acceptance ratio (MBAR) method
License: MIT
Requires Python: >=3.6
Keywords: molecular mechanics, forcefield, Bayesian parameterization

Pymbar (https://simtk.org/home/pymbar) is a library
that provides tools for optimally combining simulations
from multiple thermodynamic states using maximum likelihood
methods to compute free energies (normalization constants)
and expectation values from all of the samples simultaneously.