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Discovery and recovery of crystalline materials with property-conditioned transformers
Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional …
Cyprien Bone, Matthew Walker, Bradley A. A. Martin, Kuangdai Leng, Luis M. Antunes, Ricardo Grau-Crespo, Amil Aligayev, Javier Dominguez, Keith T. Butler
arXiv Code Paper reproduction code
Discovery and recovery of crystalline materials with property-conditioned transformers