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

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License: Apache Software License

Author: Carlos Xavier Hernandez

molecular, dynamics, entropy, analysis

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Classifiers

Intended Audience
Science/Research
License
OSI Approved :: Apache Software License
Operating System
MacOS
Microsoft :: Windows
Unix
Programming Language
Python
Python :: 2
Python :: 2.6
Python :: 2.7
Python :: 3
Python :: 3.2
Python :: 3.3
Python :: 3.4
Topic
Scientific/Engineering
Scientific/Engineering :: Information Analysis
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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This version
History Node

0.2

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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
mdentropy-0.2.tar.gz (3.6 kB) Copy SHA256 Checksum SHA256 – Source Jul 29, 2015

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