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