Informing geometric deep learning with electronic interactions to accelerate quantum chemistry

Zhuoran Qiao(Io Therapeutics (United States)), Thomas F. Miller(Bayer (United States)), Anima Anandkumar(California Institute of Technology), Anders S. Christensen(Fate Therapeutics (United States)), Frederick R. Manby(University of Bristol), Matthew Welborn(Ensco (United States))
Proceedings of the National Academy of Sciences
July 28, 2022
Cited by 87


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