/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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