Rigidity-Aware Geometric Pretraining for Protein Design and Conformational Ensembles
arXiv:2603.02406v1 Announce Type: new Abstract: Generative models have recently advanced $textit{de novo}$ protein design by learning the statistical regularities of natural structures. However, current approaches face three key limitations: (1) Existing methods cannot jointly learn protein geometry and design tasks, where pretraining can be a solution; (2) Current pretraining methods mostly rely on local, non-rigid atomic representations for property prediction downstream tasks, limiting global geometric understanding for protein generation tasks; and (3) Existing approaches have yet to effectively […]