Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization

Siyi Gu, Minkai Xu, Alexander S Powers, Weili Nie, Tomas Geffner, Karsten Kreis, Jure Leskovec, Arash Vahdat, Stefano Ermon

December 2024

arXiv

Type

Conference paper

Publication

Advances in Neural Information Processing Systems (NeurIPS)