/tools/vde
vde
msmbuilder/vde
189 stars42 forksJupyter NotebookAdded February 4, 2026
summary
The Variational Dynamical Encoder (VDE) is a tool designed to reduce high-dimensional time-series data from chemical and biophysical systems into simpler representations using deep learning techniques. It captures complex dynamics, such as those in protein folding and Brownian motion, making it useful for analyzing molecular behaviors.
description
Variational Autoencoder for Dimensionality Reduction of Time-Series
topics
variational-autoencodermolecular-dynamicscomputational-chemistrycomputational-biologytime-seriesdeep-learningpytorchpython
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