/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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