mdentropy

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


Keywords
molecular, dynamics, entropy, analysis
License
MIT
Install
pip install mdentropy==0.2

Documentation

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