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Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating
  COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based
  Simulations on High Performance Computers

Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers

4 March 2021
Agastya P. Bhati
S. Wan
Dario Alfè
Austin R. Clyde
Mathis Bode
Li Tan
Mikhail Titov
André Merzky
Matteo Turilli
S. Jha
R. Highfield
W. Rocchia
Nicola Scafuri
S. Succi
Dieter Kranzlmüller
Gerald Mathias
David Wifling
Y. Donon
A. D. Meglio
S. Vallecorsa
Heng Ma
Anda Trifan
A. Ramanathan
Thomas Brettin
A. Partin
Fangfang Xia
Xiaotan Duan
Rick L. Stevens
P. V. Coveney
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Papers citing "Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers"

6 / 6 papers shown
Title
Constructing artificial life and materials scientists with accelerated
  AI using Deep AndersoNN
Constructing artificial life and materials scientists with accelerated AI using Deep AndersoNN
Saleem Al Dajani
David Keyes
AI4CE
47
0
0
29 Jul 2024
Applying Physics-Informed Enhanced Super-Resolution Generative
  Adversarial Networks to Finite-Rate-Chemistry Flows and Predicting Lean
  Premixed Gas Turbine Combustors
Applying Physics-Informed Enhanced Super-Resolution Generative Adversarial Networks to Finite-Rate-Chemistry Flows and Predicting Lean Premixed Gas Turbine Combustors
Mathis Bode
AI4CE
33
4
0
28 Oct 2022
Applying Physics-Informed Enhanced Super-Resolution Generative
  Adversarial Networks to Turbulent Premixed Combustion and Engine-like Flame
  Kernel Direct Numerical Simulation Data
Applying Physics-Informed Enhanced Super-Resolution Generative Adversarial Networks to Turbulent Premixed Combustion and Engine-like Flame Kernel Direct Numerical Simulation Data
Mathis Bode
M. Gauding
Dominik Goeb
Tobias Falkenstein
H. Pitsch
AI4CE
33
17
0
28 Oct 2022
Coupling streaming AI and HPC ensembles to achieve 100-1000x faster
  biomolecular simulations
Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations
Alexander Brace
I. Yakushin
Heng Ma
Anda Trifan
T. Munson
Ian Foster
A. Ramanathan
Hyungro Lee
Matteo Turilli
S. Jha
AI4CE
32
19
0
10 Apr 2021
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics
Hyungro Lee
André Merzky
Li Tan
Mikhail Titov
Matteo Turilli
...
Anda Trifan
Hubertus Van Dam
S. Wan
Sean R. Wilkinson
S. Jha
52
10
0
20 Oct 2020
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing
  Better LEads
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
Aymen Al-Saadi
Dario Alfè
Y. Babuji
Agastya P. Bhati
Ben Blaiszik
...
A. Tsaris
Matteo Turilli
H. V. Dam
S. Wan
David Wifling
36
31
0
13 Oct 2020
1