CodeEntropy

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Chakravorty, Arghya, Chung-HK, Donald, Fegan, Sarah, Gebbie-Rayet, James, Harris, Sarah, Henchman, Richard, Higham, Jonathan, Kalayan, Jas, Papa, Ioana, Swift, Harry
DOI: 10.5281/zenodo.17570721
Cited by: 0

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.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
26 August 2026