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GPU-optimized Approaches to Molecular Docking-based Virtual Screening in Drug Discovery: A Comparative Analysis
Emanuele Vitali, Federico Ficarelli, Mauro Bisson +4
COVID-19 has shown the importance of having a fast response against pandemics. Finding a novel drug is a very long and complex procedure, and it is possible to accelerate the preli…
A Performance Study of the 2D Ising Model on GPUs
Joshua Romero, Mauro Bisson, Massimiliano Fatica +1
The simulation of the two-dimensional Ising model is used as a benchmark to show the computational capabilities of Graphic Processing Units (GPUs). The rich programming environment…
Exascale Deep Learning for Climate Analytics
Thorsten Kurth, Sean Treichler, Joshua Romero +9
We extract pixel-level masks of extreme weather patterns using variants of Tiramisu and DeepLabv3+ neural networks. We describe improvements to the software frameworks, input pipel…