CITATION.cff

cff-version: 1.2.0
message: "If you use this software, please cite both the software and the paper below."
type: software
title: "GP-TEMPEST: Gaussian Process Temporal Embedding for Protein Simulations and Transitions"
version: "0.1.0"
date-released: "2024-11-18"
license: MIT
repository-code: "https://github.com/moldyn/GP-TEMPEST"
authors:
  - family-names: Diez
    given-names: Georg
preferred-citation:
  type: article
  title: "Recovering Hidden Degrees of Freedom Using Gaussian Processes"
  authors:
    - family-names: Diez
      given-names: Georg
    - family-names: Dethloff
      given-names: Nele
    - family-names: Stock
      given-names: Gerhard
  journal: "The Journal of Chemical Physics"
  volume: 163
  issue: 12
  pages: "124105"
  year: 2025
  doi: "https://doi.org/10.1063/5.0282147"