OneScience-Group/oc20

OC20 Dataset Description The OC20 dataset is an extxyz subset of the Open Catalyst 2020 (OC20) S2EF (Structure to Energy and Forces) dataset. It contains atomic coordinates, unit-cell information, energies, and forces for adsorption configurations on catalytic material surfaces. Its energy and force fields are consistent with those in the UMA OC20 configuration, making it a standard benchmark dataset for developing and validating machine-learned interatomic… See the full description on the dataset page: https://huggingface.co/datasets/OneScience-Group/oc20.