/tools/deeptime

deeptime

markovmodel/deeptime

186 stars42 forksJupyter NotebookAdded February 4, 2026
summary

The 'deeptime' repository provides a toolbox for dimension reduction of time series data using a time-lagged autoencoder, specifically designed for applications in molecular dynamics. It also includes a Variational Approach for Markov Processes networks, which can be useful for analyzing molecular simulations.

description

Deep learning meets molecular dynamics.

topics

pytorchtensorflowdimension-reductionmarkov-modeldata-analysismachine-learningautoencodertime-seriescomputational-biologycomputational-chemistrypythondeep-learning

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