40 citations · 147 across the 23 of their papers we have counts for
3 papers · 1 filter
AlphaFold Distillation for Protein Design
Igor Melnyk, Aurelie Lozano, Payel Das +1
Inverse protein folding, the process of designing sequences that fold into a specific 3D structure, is crucial in bio-engineering and drug discovery. Traditional methods rely on ex…
Protein Representation Learning by Geometric Structure Pretraining
Zuobai Zhang, Minghao Xu, Arian Jamasb +4
Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain prote…
Directed Graph Auto-Encoders
Georgios Kollias, Vasileios Kalantzis, Tsuyoshi Idé +2
We introduce a new class of auto-encoders for directed graphs, motivated by a direct extension of the Weisfeiler-Leman algorithm to pairs of node labels. The proposed model learns…