OneScience-Group/MatPL

MatPL Dataset Description The MatPL dataset is an example dataset for training material potentials with OneScience-Group/NEP. It contains multiple material systems, including AuAg, Cu, HfO2, and LiSiC, and covers the pwmat/movement, pwmlff/npy, and extxyz data formats. The data include atomic coordinates, simulation cell information, energies, and forces for different material systems in different configurations, and serve as a standard benchmark dataset for… See the full description on the dataset page: https://huggingface.co/datasets/OneScience-Group/MatPL.