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conda-forge.org : pyemma
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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purl: pkg:conda/pyemma
Keywords: analysis, bayesian-methods, hidden-markov-model, hmm, kinetic-modeling, markov-model, markov-state-model, mbar, molecular-dynamics, molecular-modeling, python, tica, time-series, umbrella-sampling
License: Other
Latest release: over 1 year ago
First release: over 1 year ago
Dependent packages: 2
Dependent repositories: 5
Stars: 274 on GitHub
Forks: 114 on GitHub
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Last synced: 6 days ago