CodeEntropy
Published in Zenodo (CERN European Organization for Nuclear Research) • Feb 27, 2026
NobleIDNI6P572W192R686S964
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.
Finding related papers...
Discussions
(0)No comments yet
Be the first to share your thoughts!