Generating Molecular Conformers with Manifold Diffusion Fields
This paper was accepted at Generative AI and Biology workshop at NeurIPS 2023. In this paper we tackle the problem of generating a molecule conformation in 3D space given its 2D structure. We approach this problem through the lens of a diffusion model for functions in Riemannian Manifolds. Our approach is simple and scalable, and …
Read more “Generating Molecular Conformers with Manifold Diffusion Fields”