MSMBuilder

msmbuilder
🏗️ Statistical models for biomolecular dynamics 🏗️

Python 121 LGPL-2.1 82 98 5 Updated Jan 26, 2021
osprey
🦅Hyperparameter optimization for machine learning pipelines 🦅

Python 71 Apache-2.0 24 16 2 Updated Nov 29, 2020
vde
Variational Autoencoder for Dimensionality Reduction of Time-Series

Jupyter Notebook 153 MIT 38 4 1 Updated Jul 29, 2019
msmexplorer
Data visualizations for biomolecular dynamics

Python 13 MIT 17 21 (3 issues need help) 2 Updated Oct 30, 2018
mdentropy
Analyze correlated motions in MD trajectories with only a few lines of Python.

Python 23 MIT 13 11 (1 issue needs help) 1 Updated Jan 17, 2018
msmbuilder-legacy
Legacy release of MSMBuilder

Python 24 GPL-2.0 28 52 7 Updated Nov 30, 2016
msmb_theme
Slight modification of sphinx_rtd_theme

Python 3 MIT 3 1 0 Updated Nov 10, 2016
paper

Jupyter Notebook 0 1 0 0 Updated Oct 27, 2016
talk
MSMBuilder3 Talk

CSS 0 GPL-2.0 2 0 0 Updated Sep 8, 2016
msmb_data
Testing data for MSMBuilder

Python 0 2 0 0 Updated Jul 10, 2016

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