chaitjo/GEOM-DRUGS_ADiT

All-atom Diffusion Transformers - GEOM-DRUGS dataset GEOM-DRUGS 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/cvignac/MiDi?tab=readme-ov-file#datasets https://github.com/learningmatter-mit/geom… See the full description on the dataset page: https://huggingface.co/datasets/chaitjo/GEOM-DRUGS_ADiT.