MSMBuilder

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12 repositories

msmbuilder2022
Public
Statistical models for biomolecular dynamics
Python
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GNU Lesser General Public License v2.1
•17•37•1•1•Updated Oct 9, 2024Oct 9, 2024
vde
Public
Variational Autoencoder for Dimensionality Reduction of Time-Series
python deep-learning time-series molecular-dynamics computational-biology pytorch computational-chemistry variational-autoencoder
Jupyter Notebook
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MIT License
•43•186•5•1•Updated May 1, 2022May 1, 2022
msmbuilder
Public archive
🏗️ Statistical models for biomolecular dynamics 🏗️
markov-model feature-extraction python hmm analysis clustering molecular-dynamics pca msmbuilder dimensionality-reduction
Python
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GNU Lesser General Public License v2.1
•95•155•98•5•Updated Jan 26, 2021Jan 26, 2021
osprey
Public
🦅Hyperparameter optimization for machine learning pipelines 🦅
machine-learning optimization models pretty-logo python scikit-learn cross-validation hyperparameter-optimization
Python
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Apache License 2.0
•26•74•16•2•Updated Nov 29, 2020Nov 29, 2020
msmexplorer
Public
Data visualizations for biomolecular dynamics
python markov-model plotting data-visualization msmbuilder biomolecular-dynamics
Python
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MIT License
•17•17•23•2•Updated Oct 30, 2018Oct 30, 2018
mdentropy
Public
Analyze correlated motions in MD trajectories with only a few lines of Python.
Python
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MIT License
•14•31•11•1•Updated Jan 17, 2018Jan 17, 2018
msmbuilder-legacy
Public archive
Legacy release of MSMBuilder
Python
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GNU General Public License v2.0
•28•25•52•7•Updated Nov 30, 2016Nov 30, 2016
msmb_theme
Public
Slight modification of sphinx_rtd_theme
Python
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MIT License
•3•4•1•0•Updated Nov 10, 2016Nov 10, 2016
paper
Public
Jupyter Notebook
•2•0•0•0•Updated Oct 27, 2016Oct 27, 2016
talk
Public
MSMBuilder3 Talk
CSS
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GNU General Public License v2.0
•2•0•0•0•Updated Sep 8, 2016Sep 8, 2016
msmb_data
Public
Testing data for MSMBuilder
Python
•2•0•0•0•Updated Jul 10, 2016Jul 10, 2016
wetmsm
Public
Investigate water in MD trajectories
Python
•3•0•0•0•Updated May 16, 2015May 16, 2015