markovmodel / deeptime

Deep learning meets molecular dynamics.

GNU Lesser General Public License v3.0

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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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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