45 citations · 63 across the 13 of their papers we have counts for
3 papers · 1 filter
Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App
Davide Gadioli, Gianluca Palermo, Stefano Cherubin +7
The drug discovery process involves several tasks to be performed in vivo, in vitro and in silico. Molecular docking is a task typically performed in silico. It aims at finding the…
Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes
Emanuele Vitali, Davide Gadioli, Gianluca Palermo +3
In drug discovery, molecular docking is the task in charge of estimating the position of a molecule when interacting with the docking site. This task is usually used to perform scr…
The ANTAREX Domain Specific Language for High Performance Computing
Cristina Silvano, Giovanni Agosta, Andrea Bartolini +19
The ANTAREX project relies on a Domain Specific Language (DSL) based on Aspect Oriented Programming (AOP) concepts to allow applications to enforce extra functional properties such…