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2012.00131
Cited By
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data
30 November 2020
Sutanay Choudhury
Jenna A. Bilbrey
Logan T. Ward
S. Xantheas
Ian Foster
Josef Heindel
Ben Blaiszik
Marcus Schwarting
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Papers citing
"HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data"
3 / 3 papers shown
Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources
IEEE International Symposium on Parallel & Distributed Processing, Workshops and Phd Forum (IPDPSW), 2023
Logan T. Ward
J. G. Pauloski
Valérie Hayot-Sasson
Ryan Chard
Y. Babuji
Ganesh Sivaraman
Sutanay Choudhury
Kyle Chard
R. Thakur
Ian Foster
192
11
0
15 Mar 2023
Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry
Hatem Helal
J. Firoz
Jenna A. Bilbrey
M. M. Krell
Tom Murray
Ang Li
S. Xantheas
Sutanay Choudhury
GNN
237
5
0
25 Nov 2022
Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators
Jenna A. Bilbrey
Kristina M Herman
Henry W Sprueill
Soritis S. Xantheas
Payel Das
Manuel Lopez Roldan
Mike Kraus
Hatem Helal
Sutanay Choudhury
AI4CE
158
4
0
08 Nov 2022
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