Dataset
LICENSE: The OMC25 dataset is provided under a CC-BY-4.0 license
OMC25 represents the largest high quality molecular crystal DFT dataset.
OMC25 was generated at the PBE-D3 level of theory as implemented in Vienna Ab initio Simulation Package (VASP). OMC25 includes structures sampled from relaxation trajectories of molecular crystals generated by Genarris 3.0 starting from molecules in the OE62 dataset.… See the full description on the dataset page: https://huggingface.co/datasets/facebook/OMC25.
