230 citations · 266 across the 16 of their papers we have counts for
6 papers · 1 filter
A Review on Parallel Virtual Screening Softwares for High Performance Computers
Natarajan Arul Murugan, Artur Podobas, Davide Gadioli +3
Drug discovery is the most expensive, time demanding and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from…
EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers
Davide Gadioli, Emanuele Vitali, Federico Ficarelli +7
The social and economic impact of the COVID-19 pandemic demands the reduction of the time required to find a therapeutic cure. In the contest of urgent computing, we re-designed th…
Quantum Molecular Unfolding
Kevin Mato, Riccardo Mengoni, Daniele Ottaviani +1
Molecular Docking (MD) is an important step of the drug discovery process which aims at calculating the preferred position and shape of one molecule to a second when they are bound…
Dynamic Network selection for the Object Detection task: why it matters and what we (didn't) achieve
Emanuele Vitali, Anton Lokhmotov, Gianluca Palermo
In this paper, we want to show the potential benefit of a dynamic auto-tuning approach for the inference process in the Deep Neural Network (DNN) context, tackling the object detec…
Legio: Fault Resiliency for Embarrassingly Parallel MPI Applications
Roberto Rocco, Davide Gadioli, Gianluca Palermo
Due to the increasing size of HPC machines, the fault presence is becoming an eventuality that applications must face. Natively, MPI provides no support for the execution past the…
EVEREST: A design environment for extreme-scale big data analytics on heterogeneous platforms
Christian Pilato, Stanislav Bohm, Fabien Brocheton +15
High-Performance Big Data Analytics (HPDA) applications are characterized by huge volumes of distributed and heterogeneous data that require efficient computation for knowledge ext…