DynaCrys couples space-group evolution with Wyckoff occupations and elements in a symbolic diffusion model and reports best-in-class stable-unique-novel rates on MP-20.
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DynaCrys: Crystal Generation with Dynamic Space-Group Diffusion
DynaCrys couples space-group evolution with Wyckoff occupations and elements in a symbolic diffusion model and reports best-in-class stable-unique-novel rates on MP-20.