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codeentropy

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Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.

Installation

To install this package, run one of the following:

Conda
$conda install ccpbiosim::codeentropy

Usage Tracking

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Description

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.

About

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

noarch