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CCPBioSim/CodeEntropy

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CodeEntropy

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.

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See CodeEntropy’s documentation for more information.

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Copyright (c) 2025 CCPBioSim

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

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