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2006.02431
Cited By
Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release
28 May 2020
Y. Babuji
B. Blaiszik
Thomas Brettin
Kyle Chard
Ryan Chard
Austin R. Clyde
Ian T. Foster
Zhi Hong
S. Jha
Zhuozhao Li
Xuefeng Liu
A. Ramanathan
Yi Ren
N. Saint
Marcus Schwarting
Rick L. Stevens
Hubertus Van Dam
Rick Wagner
Re-assign community
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Papers citing
"Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release"
6 / 6 papers shown
Title
Constructing artificial life and materials scientists with accelerated AI using Deep AndersoNN
Saleem Al Dajani
David Keyes
AI4CE
44
0
0
29 Jul 2024
Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources
Logan T. Ward
J. G. Pauloski
Valérie Hayot-Sasson
Ryan Chard
Y. Babuji
Ganesh Sivaraman
Sutanay Choudhury
Kyle Chard
R. Thakur
Ian T. Foster
32
9
0
15 Mar 2023
RAPTOR: Ravenous Throughput Computing
André Merzky
Matteo Turilli
S. Jha
22
3
0
31 Aug 2022
AI-coupled HPC Workflows
S. Jha
V. Pascuzzi
Matteo Turilli
24
9
0
24 Aug 2022
Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening
Austin R. Clyde
Thomas Brettin
A. Partin
H. Yoo
Y. Babuji
...
André Merzky
Matteo Turilli
S. Jha
A. Ramanathan
Rick L. Stevens
ELM
11
8
0
13 Jun 2021
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Daniil Polykovskiy
Alexander Zhebrak
Benjamín Sánchez-Lengeling
Sergey Golovanov
Oktai Tatanov
...
Simon Johansson
Hongming Chen
Sergey I. Nikolenko
Alán Aspuru-Guzik
Alex Zhavoronkov
ELM
191
633
0
29 Nov 2018
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