The energy bands predicted by the universal HamGNN model

universal_Hamiltonian.ckpt is the network weights for the universal HamGNN model. flat_systems.zip is the file contains the structures and energy bands for crystals with flat bands in GeNOME dataset. Energy_bands_prediction.zip is the file contains the structures and predicted energy bands for crystals in the test dataset of Materials Project. Energy_bands_DFT.zip is the file contains the structures and DFT calculated energy bands for crystals in the test dataset of Materials Project.