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Analyze correlated motions in MD trajectories with only a few lines of Python code.

Project description

MDEntropy is a python library that allows users to perform information-theoretic analyses on molecular dynamics (MD) trajectories. It includes methods to calculate:

  • Bias-Corrected Entropy

  • Conditional Entropy

  • Mutual Information

  • Normalized Mutual Information

  • Conditional Mutual Information

  • Normalized Conditional Mutual Information

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