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AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodies
March 7, 2024, 5:43 a.m. | Karolis Martinkus, Jan Ludwiczak, Kyunghyun Cho, Wei-Ching Liang, Julien Lafrance-Vanasse, Isidro Hotzel, Arvind Rajpal, Yan Wu, Richard Bonneau, Vlad
cs.LG updates on arXiv.org arxiv.org
Abstract: We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new representation of protein structure, relies on a novel architecture for aligned proteins, and utilizes strong diffusion priors to improve the denoising process. Our approach improves protein diffusion by taking advantage of domain knowledge and physics-based constraints; handles sequence-length changes; and reduces memory complexity by an order of magnitude, …
abstract architecture arxiv atom cs.lg diffusion diffusion model novel physics physics-informed protein proteins protein structure q-bio.bm representation stat.ml type
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