RESEARCH PAPER · Journal of Chemical Information and Modeling · 2024
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units
Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Henry W. Sprueill, Kristina M. Herman, Mario Michael Krell, Tom Murray, Manuel Lopez Roldan, Mike Kraus, Ang Li, Payel Das, Sotiris S. Xantheas, Sutanay Choudhury
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