2025
Energy-Based Flow Matching for Generating 3D Molecular Structure
Wenyin Zhou, Christopher Iliffe Sprague, Vsevolod Viliuga, Matteo Tadiello, Arne Elofsson, Hossein Azizpour
ICML 2025poster
Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent advances in generative modeling, such as diffusion models an…