361 citations · 931 across the 14 of their papers we have counts for
5 papers · 1 filter
Particle Guidance: non-I.I.D. Diverse Sampling with Diffusion Models
Gabriele Corso, Yilun Xu, Valentin de Bortoli +2
In light of the widespread success of generative models, a significant amount of research has gone into speeding up their sampling time. However, generative models are often sample…
DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models
Mohamed Amine Ketata, Cedrik Laue, Ruslan Mammadov +6
Understanding how proteins structurally interact is crucial to modern biology, with applications in drug discovery and protein design. Recent machine learning methods have formulat…
EigenFold: Generative Protein Structure Prediction with Diffusion Models
Bowen Jing, Ezra Erives, Peter Pao-Huang +3
Protein structure prediction has reached revolutionary levels of accuracy on single structures, yet distributional modeling paradigms are needed to capture the conformational ensem…
Modeling Molecular Structures with Intrinsic Diffusion Models
Gabriele Corso
Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by…
Learning Graph Search Heuristics
Michal Pándy, Weikang Qiu, Gabriele Corso +4
Searching for a path between two nodes in a graph is one of the most well-studied and fundamental problems in computer science. In numerous domains such as robotics, AI, or biology…