Data and models for: Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks

Data (ver 1.2) and trained models for our paper "Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks". If you use such data or models, please cite our paper. These three directories need to be downloaded and copied into our source codes in order to reproduce our paper: https://github.com/learningmatter-mit/PerovskiteOrderingGCNNs data & saved_models: Please refer to the files in https://doi.org/10.5281/zenodo.13820311 best_models (updated): All best model files for evaluating GCNNs