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gp-tempest

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Gaussian Process Temporal Embedding for Protein Simulations and Transitions

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::gp-tempest

Usage Tracking

0.1.2
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Downloads (Last 6 months): 0

Description

GP-TEMPEST is a time-aware variational autoencoder for molecular dynamics simulations. It places a Matérn Gaussian Process prior on the latent trajectories, exploiting temporal correlations to recover kinetically relevant coordinates — even hidden ones invisible in any low-dimensional projection of the data.

About

Summary

Gaussian Process Temporal Embedding for Protein Simulations and Transitions

Last Updated

Mar 18, 2026 at 18:09

License

MIT

Supported Platforms

noarch