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Jenna A. Bilbrey
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2020 – today
- 2024
- [j3]Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Henry Sprueill, Kristina M. Herman
, Mario Michael Krell, Tom Murray, Manuel Lopez Roldan, Mike Kraus, Ang Li, Payel Das
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units. J. Chem. Inf. Model. 64(5): 1568-1580 (2024) - 2022
- [i7]Jenna A. Bilbrey, Kristina M. Herman, Henry Sprueill, Sotiris S. Xantheas, Payel Das, Manuel Lopez Roldan, Mike Kraus, Hatem Helal, Sutanay Choudhury:
Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators. CoRR abs/2211.04598 (2022) - [i6]Hatem Helal, Jesun Firoz, Jenna A. Bilbrey, Mario Michael Krell
Extreme Acceleration of Graph Neural Network-based Prediction Models for Quantum Chemistry. CoRR abs/2211.13853 (2022) - 2021
- [j2]Francis J. Alexander
Co-design Center for Exascale Machine Learning Technologies (ExaLearn). Int. J. High Perform. Comput. Appl. 35(6): 598-616 (2021) - [i5]Logan T. Ward, Jenna A. Bilbrey, Sutanay Choudhury, Neeraj Kumar, Ganesh Sivaraman
Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19. CoRR abs/2102.04977 (2021) - [i4]Jenna A. Bilbrey, Logan T. Ward, Sutanay Choudhury, Neeraj Kumar, Ganesh Sivaraman:
Evening the Score: Targeting SARS-CoV-2 Protease Inhibition in Graph Generative Models for Therapeutic Candidates. CoRR abs/2105.10489 (2021) - [i3]Michael Hunter Ashby, Jenna A. Bilbrey:
Geometric learning of the conformational dynamics of molecules using dynamic graph neural networks. CoRR abs/2106.13277 (2021) - [i2]Carter Knutson, Mridula Bontha, Jenna A. Bilbrey, Neeraj Kumar:
Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks. CoRR abs/2111.15144 (2021) - 2020
- [i1]Sutanay Choudhury, Jenna A. Bilbrey, Logan T. Ward, Sotiris S. Xantheas, Ian T. Foster, Joseph P. Heindel, Ben Blaiszik, Marcus E. Schwarting:
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data. CoRR abs/2012.00131 (2020)
2010 – 2019
- 2013
- [j1]Jenna A. Bilbrey, Arianna H. Kazez
Exact ligand cone angles. J. Comput. Chem. 34(14): 1189-1197 (2013)
Coauthor Index
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