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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.
  • win-32 v2.4
  • linux-64 v2.4
  • win-64 v2.4
  • osx-64 v2.4

conda install

Authentication Prerequisites:
anaconda login

To install this package run one of the following:
conda install omnia::pyemma
conda install omnia/label/pre::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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