CMD + K

pyemma

Community

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

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::pyemma

Usage Tracking

2.5.12
2.5.11
2.5.10
2.5.9
2.5.8
5 / 8 versions selected
Downloads (Last 6 months): 0

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)

About

Summary

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

Last Updated

Sep 13, 2022 at 14:31

License

LGPL-3.0-or-later

Total Downloads

1.2M

Supported Platforms

linux-64
macOS-64
win-64

Unsupported Platforms

win-32 Last supported version: 2.5.2