deeptime

Jupyter Notebook

Deep learning meets molecular dynamics.

Last updated Jun 26, 2026

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

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

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