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msmbuilder

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msmbuilder / msmbuilder

🏗️ Statistical models for biomolecular dynamics 🏗️

python markov-model hmm analysis clustering molecular-dynamics feature-extraction pca msmbuilder dimensionality-reduction tica

Updated Jan 26, 2021
Python

msmbuilder / msmexplorer

Data visualizations for biomolecular dynamics

python markov-model data-visualization msmbuilder plotting biomolecular-dynamics

Updated Oct 30, 2018
Python

ShuklaGroup / REAP-ReinforcementLearningBasedAdaptiveSampling

machine-learning reinforcement-learning molecular-dynamics-simulation msmbuilder enhanced-sampling

Updated Apr 30, 2019
Python

ShuklaGroup / optimalProbes

https://github.com/ShuklaGroup/optimalProbes/wiki

genetic-algorithm msmbuilder deer mdtraj optimalprobes optimal-probes

Updated Jun 22, 2018
Jupyter Notebook

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