gp-tempest
Gaussian Process Temporal Embedding for Protein Simulations and Transitions
Gaussian Process Temporal Embedding for Protein Simulations and Transitions
To install this package, run one of the following:
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.
Summary
Gaussian Process Temporal Embedding for Protein Simulations and Transitions
Last Updated
Mar 18, 2026 at 18:09
License
MIT
Supported Platforms
GitHub Repository
https://github.com/moldyn/GP-TEMPESTDocumentation
https://moldyn.github.io/GP-TEMPEST