datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
MP20_ADiT
All-atom Diffusion Transformers - MP20 dataset
MP20 dataset from the paper "All-atom Diffusion Transformers: Unified generative modelling of molecules and materials", by Chaitanya K. Joshi, Xiang Fu, Yi-Lun Liao, Vahe Gharakhanyan, Benjamin Kurt Miller, Anuroop Sriram*, and Zachary W. Ulissi* from FAIR Chemistry at Meta (* Joint last author).
Original data source: https://github.com/txie-93/cdvae (Adapted from Materials Project)
GitHub:… See the full description on the dataset page: https://huggingface.co/datasets/chaitjo/MP20_ADiT.mp_20
MP-20
MP-20 contains 45231 general inorganic materials that differ in both structure and composition. There are 89 elements and the materials have 1 - 20 atoms in the unit cells. MP-20 includes most experimentally known materials with no more than 20 atoms in unit cell.
What is in the dataset
MP-20 includes almost all experimentally stable materials from the Materials Project (Jain et al., 2013) with unit cells including at most 20 atoms. We only include materials that… See the full description on the dataset page: https://huggingface.co/datasets/luoxs/mp_20.