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 omnia::pyemma

Usage Tracking

2.4
2.3.2
2.3.1
2.3
2.2.7
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

May 20, 2017 at 14:13

License

LGPLv3+

Total Downloads

70.5K

Supported Platforms

linux-64
win-32
win-64
macOS-64