A building-block-aware diffusion model generates novel, large-unit-cell MOF crystal structures, and one model-suggested MOF was synthesized with a structure close to, but not identical to, the prediction.
, author Arguilla, M
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Building-Block Aware Generative Modeling for 3D Crystals of Metal Organic Frameworks
A building-block-aware diffusion model generates novel, large-unit-cell MOF crystal structures, and one model-suggested MOF was synthesized with a structure close to, but not identical to, the prediction.