no code implementations • 27 Nov 2023 • Yuyang Wang, Ahmed A. Elhag, Navdeep Jaitly, Joshua M. Susskind, Miguel Angel Bautista
We present a novel way to predict molecular conformers through a simple formulation that sidesteps many of the heuristics of prior works and achieves state of the art results by using the advantages of scale.
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.
