The models used in <i>Dis-GEN: Disordered Crystal Structure Generation</i>

<p dir="ltr">This repository contains the Variational Autoencoder (VAE) model used in the paper <i>"Dis-GEN: Disordered Crystal Structure Generation"</i>, designed to generate disordered inorganic crystal structures.</p><p dir="ltr">Included in this repository:</p><ul><li>The final model checkpoint (exit model)</li><li>The best-performing model (based on validation loss)</li><li>Training configuration and coefficients</li><li>Logs of training and validation loss</li><li>The ICSD id's used for train/val/test split </li></ul><p dir="ltr">To generate new disordered inorganic crystal structures using this model, please follow the usage instructions provided in the main project repository: <a href="https://github.com/mahpe/Dis-GEN" rel="noopener" target="_new">https://github.com/mahpe/Dis-GEN</a></p>