no code implementations • 27 Nov 2023 • Yuyang Wang, Ahmed A. Elhag, Navdeep Jaitly, Joshua M. Susskind, Miguel Angel Bautista
In this paper we tackle the problem of generating conformers of a molecule in 3D space given its molecular graph.
no code implementations • 24 May 2023 • Ahmed A. Elhag, Yuyang Wang, Joshua M. Susskind, Miguel Angel Bautista
Our approach allows to sample continuous functions on manifolds and is invariant with respect to rigid and isometric transformations of the manifold.
