Datasets for the paper "Efficient Determination of Born-Effective Charges, LO-TO Splitting, and Raman Tensors of Solids with a Real-Space Atom-Centered Deep Learning Approach""

This contains all the training and testing data used in the study for the paper: "Efficient Determination of Born-Effective Charges, LO-TO Splitting, and Raman Tensors of Solids with a Real-Space Atom-Centered Deep Learning Approach" All datasets are available in multiple formats (.h5, .db, .xyz) for training the different architectures referenced in the paper (RADNET, SchNet, SA-GPR).