PyEMMA (EMMA = Emma's Markov Model Algorithms) is an open source Python/C package for analysis of extensive molecular dynamics simulations

Installers

Info: This package contains files in non-standard labels.

conda install

  • linux-64  v2.5.5
  • win-32  v2.5.2
  • osx-64  v2.5.5
  • win-64  v2.5.5
To install this package with conda run one of the following:
conda install -c conda-forge pyemma
conda install -c conda-forge/label/gcc7 pyemma
conda install -c conda-forge/label/cf201901 pyemma

Description

PyEMMA (EMMA = Emma's Markov Model Algorithms) is an open source Python/C package for analysis of extensive molecular dynamics simulations. In particular, it includes algorithms for estimation, validation and analysis of: * Clustering and Featurization * Markov state models (MSMs) * Hidden Markov models (HMMs) * Multi-ensemble Markov models (MEMMs) * Time-lagged independent component analysis (TICA) * Transition Path Theory (TPT)

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