Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units - researchr publication authors

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Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Henry Sprueill, Kristina M. Herman, Mario Michael Krell, Tom Murray, Manuel Lopez Roldan, Mike Kraus, Ang Li 0006, Payel Das, Sotiris S. Xantheas, Sutanay Choudhury. Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units. Journal of Chemical Information and Computer Sciences, 64(5):1568-1580, March 2024. [doi]

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