README.md

metadata

license: mit

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

GitHub: https://github.com/facebookresearch/all-atom-diffusion-transformer