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

H. Helal, J. Firoz, J. Bilbrey, H. Sprueill, K. Herman, M. Krell, T. Murray, M. Roldan, M. Kraus, A. Li, P. Das, S. Xantheas, and S. Choudhury. J. Chem. Inf. Model., 64 (5): 1568-1580 (March 2024)

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Jenna Hildebrandt

Jenna Voss

Jenna Lüttgen

Jenna Stella

Jenna Koenen

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Evening the Score: Targeting SARS-CoV-2 Protease Inhibition in Graph Generative Models for Therapeutic Candidates.J. Bilbrey, L. Ward, S. Choudhury, N. Kumar, and G. Sivaraman. CoRR, (2021)Co-design Center for Exascale Machine Learning Technologies (ExaLearn).F. Alexander, J. Ang, J. Bilbrey, J. Balewski, T. Casey, R. Chard, J. Choi, S. Choudhury, B. Debusschere, A. DeGennaro and 37 other author(s). Int. J. High Perform. Comput. Appl., 35 (6): 598-616 (2021)Unsupervised segmentation of irradiation-induced order-disorder phase transitions in electron microscopy.A. Ter-Petrosyan, J. Bilbrey, C. Doty, B. Matthews, L. Wang, Y. Du, E. Lang, K. Hattar, and S. Spurgeon. CoRR, (2023)Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators.J. Bilbrey, K. Herman, H. Sprueill, S. Xantheas, P. Das, M. Roldan, M. Kraus, H. Helal, and S. Choudhury. CoRR, (2022)Exact ligand cone angles.J. Bilbrey, A. Kazez, J. Locklin, and W. Allen. J. Comput. Chem., 34 (14): 1189-1197 (2013)HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data.S. Choudhury, J. Bilbrey, L. Ward, S. Xantheas, I. Foster, J. Heindel, B. Blaiszik, and M. Schwarting. CoRR, (2020)Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks.C. Knutson, M. Bontha, J. Bilbrey, and N. Kumar. CoRR, (2021)Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units.H. Helal, J. Firoz, J. Bilbrey, H. Sprueill, K. Herman, M. Krell, T. Murray, M. Roldan, M. Kraus, A. Li and 3 other author(s). J. Chem. Inf. Model., 64 (5): 1568-1580 (March 2024)Benchmarking Deep Graph Generative Models for Optimizing New Drug Molecules for COVID-19.L. Ward, J. Bilbrey, S. Choudhury, N. Kumar, and G. Sivaraman. CoRR, (2021)Geometric learning of the conformational dynamics of molecules using dynamic graph neural networks.M. Ashby, and J. Bilbrey. CoRR, (2021)

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Disambiguation of "Bilbrey, Jenna A."

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

Please choose a person to relate this publication to

Jenna Hildebrandt

Jenna Voss

Jenna Lüttgen

Jenna Stella

Jenna Koenen

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Bilbrey, Jenna A."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units.

Please choose a person to relate this publication to

Jenna Hildebrandt

Jenna Voss

Jenna Lüttgen

Jenna Stella

Jenna Koenen

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

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