MDEntropy: Information-Theoretic Analyses for Molecular Dynamics.
Carlos X. HernándezVijay S. PandePublished in: J. Open Source Softw. (2017)
Keyphrases
- information theoretic
- molecular dynamics
- mutual information
- information theory
- theoretic framework
- molecular dynamics simulations
- scientific data
- information bottleneck
- high performance computing
- information theoretic measures
- protein folding
- entropy measure
- jensen shannon divergence
- fluid flow
- kullback leibler divergence
- data generation
- image processing
- relative entropy
- kl divergence
- massively parallel
- peer to peer
- data management
- feature selection