Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators. - Jenna A. Bilbrey; Kristina M. Herman; Henry Sprueill; Sotiris S. Xantheas; Payel Das; Manuel Lopez Roldan; Mike Kraus; Hatem Helal; Sutanay Choudhury (CoRR, 2022)

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 Sprueill; Kristina M. Herman; Mario Michael Krell; Tom Murray; Manuel Lopez Roldan; Mike Kraus; Ang Li 006; Payel Das; Sotiris S. Xantheas; et al. (J. Chem. Inf. Model., 2024)