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Build Status Code Health PyPI version DOI MDEntropy

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

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  • Python 100.0%