45 citations · 63 across the 13 of their papers we have counts for
3 papers · 1 filter
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli +32
Today digital revolution is having a dramatic impact on the pharmaceutical industry and the entire healthcare system. The implementation of machine learning, extreme-scale computer…
Improving computation efficiency using input and architecture features for a virtual screening application
Gianmarco Accordi, Emanuele Vitali, Davide Gadioli +6
Virtual screening is an early stage of the drug discovery process that selects the most promising candidates. In the urgent computing scenario it is critical to find a solution in…
A Non-Intrusive Data-Driven Reduced Order Model for Parametrized CFD-DEM Numerical Simulations
Arash Hajisharifi, Francesco Romano`, Michele Girfoglio +3
The investigation of fluid-solid systems is very important in a lot of industrial processes. From a computational point of view, the simulation of such systems is very expensive, e…