https://github.com/markovmodel/deeptime

Deep learning meets molecular dynamics.
https://github.com/markovmodel/deeptime

autoencoder computational-biology computational-chemistry data-analysis deep-learning dimension-reduction machine-learning markov-model python pytorch tensorflow time-series

Last synced: 3 months ago
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Deep learning meets molecular dynamics.

• Host: GitHub
• URL: https://github.com/markovmodel/deeptime
• Owner: markovmodel
• License: lgpl-3.0
• Created: 2017-11-20T13:10:44.000Z (about 7 years ago)
• Default Branch: master
• Last Pushed: 2019-05-03T15:52:17.000Z (almost 6 years ago)
• Last Synced: 2024-10-30T09:36:11.652Z (3 months ago)
• Topics: autoencoder, computational-biology, computational-chemistry, data-analysis, deep-learning, dimension-reduction, machine-learning, markov-model, python, pytorch, tensorflow, time-series
• Language: Jupyter Notebook
• Size: 2.57 MB
• Stars: 173
• Watchers: 25
• Forks: 39
• Open Issues: 5
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# deeptime

Deep learning meets molecular dynamics.

## Contents

- **time-lagged-autoencoder**: a toolbox for dimension reduction of time series data with a [time-lagged autoencoder](https://aip.scitation.org/doi/full/10.1063/1.5011399)-type deep neural network.

- **vampnet**: Variational Approach for Markov Processes networks, see https://www.nature.com/articles/s41467-017-02388-1