SymADiT: Symmetry-Aware Crystal Generation with Latent Flow Matching

Anmar Karmush, Cedric Mathieu Brandenburg, Soheil Ershadrad +4

Tackling the task of crystal generation, we aim to enhance the previously proposed, symmetry-agnostic, All-atom Diffusion Transformer (ADiT) by introducing SymADiT, a symmetry-awar…