Pallete image processing models (e.g. JPEG restoration, inpainting), adapted to act as a surrogate model for density functional theory (DFT) relaxation of crystal structures and structure prediction.
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Explore possibility of using DALLE-2 diffusion models rather than Palette #5
E.g. What would the data representation/conversion look like? (text-to-image model)
https://github.com/lucidrains/DALLE2-pytorch