free-energy
the simple alchemistry library
A Python library and command line interface for automated free energy calculations
the simple alchemistry test set
NGC-Learn: Computational Neuroscience and NeuroAI in Python
Calculation of water/solvent partition coefficients with Gromacs.
Python wrapper for Weighted Histogram Analysis Method as implemented by Grossfield et al.
A friendly Python library for multistate analysis with MICS and MBAR
