CodeEntropy
Published in Zenodo (CERN European Organization for Nuclear Research) • Mar 26, 2026
NobleIDNI2P48W33R63S07
Authors:,,
Arghya Chakravorty
Donald Chung-HK
Sarah Fegan
Abstract
CodeEntropy is a Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation (MCC) method. It enables multiscale analysis of atomic fluctuations to quantify molecular flexibility and disorder.
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