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Scalable Geometric Deep Learning on Molecular Graphs

Scalable Geometric Deep Learning on Molecular Graphs

6 December 2021
Nathan C. Frey
S. Samsi
Joseph McDonald
Lin Li
Connor W. Coley
V. Gadepally
    GNNAI4CE
ArXiv (abs)PDFHTMLGithub (77★)

Papers citing "Scalable Geometric Deep Learning on Molecular Graphs"

4 / 4 papers shown
Reducing Down(stream)time: Pretraining Molecular GNNs using
  Heterogeneous AI Accelerators
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
198
4
0
08 Nov 2022
Benchmarking Resource Usage for Efficient Distributed Deep Learning
Benchmarking Resource Usage for Efficient Distributed Deep LearningIEEE Conference on High Performance Extreme Computing (HPEC), 2022
Nathan C. Frey
Baolin Li
Joseph McDonald
Dan Zhao
Michael Jones
David Bestor
Devesh Tiwari
V. Gadepally
S. Samsi
209
13
0
28 Jan 2022
Bringing Atomistic Deep Learning to Prime Time
Bringing Atomistic Deep Learning to Prime Time
Nathan C. Frey
S. Samsi
Bharath Ramsundar
Connor W. Coley
V. Gadepally
AI4CE
248
0
0
09 Dec 2021
Benchmarking Graph Neural Networks
Benchmarking Graph Neural NetworksJournal of machine learning research (JMLR), 2023
Vijay Prakash Dwivedi
Chaitanya K. Joshi
Anh Tuan Luu
T. Laurent
Yoshua Bengio
Xavier Bresson
1.6K
1,141
0
02 Mar 2020
1
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