codeentropy
Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
To install this package, run one of the following:
CodeEntropy is a Python package for computing the configurational entropy of macromolecular systems using forces sampled from molecular dynamics (MD) simulations. It implements the multiscale cell correlation method to provide accurate and efficient entropy estimates, supporting a wide range of applications in molecular simulation and statistical mechanics.
Summary
Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
Last Updated
May 1, 2026 at 09:13
License
MIT
Supported Platforms
GitHub Repository
https://github.com/CCPBioSim/CodeEntropyDocumentation
https://codeentropy.readthedocs.io/en/latest/