most citedGeometric Latent Diffusion Models for 3D Molecule Generation

32 citations · 46 across the 5 of their papers we have counts for

collaborators

5 papers

cs.LG20243 cited

The Heterophilic Graph Learning Handbook: Benchmarks, Models, Theoretical Analysis, Applications and Challenges

Sitao Luan, Chenqing Hua, Qincheng Lu +11

Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of…

cs.CV20242 cited

Consistency Flow Matching: Defining Straight Flows with Velocity Consistency

Ling Yang, Zixiang Zhang, Zhilong Zhang +6

Flow matching (FM) is a general framework for defining probability paths via Ordinary Differential Equations (ODEs) to transform between noise and data samples. Recent approaches a…

cs.LG20234 cited

Scaling Riemannian Diffusion Models

Aaron Lou, Minkai Xu, Stefano Ermon

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric com…

q-bio.BM20235 cited

Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D

Bo Qiang, Yuxuan Song, Minkai Xu +5

Generating desirable molecular structures in 3D is a fundamental problem for drug discovery. Despite the considerable progress we have achieved, existing methods usually generate m…

cs.LG202332 cited

Geometric Latent Diffusion Models for 3D Molecule Generation

Minkai Xu, Alexander Powers, Ron Dror +2

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as mol…