1 citations · 1 across the 3 of their papers we have counts for
3 papers
Towards High-Performance and Portable Molecular Docking on CPUs through Vectorization
Gianmarco Accordi, Jens Domke, Theresa Pollinger +2
Recent trends in the HPC field have introduced new CPU architectures with improved vectorization capabilities that require optimization to achieve peak performance and thus pose ch…
ZSMILES: an approach for efficient SMILES storage for random access in Virtual Screening
Gianmarco Accordi, Davide Gadioli, Giorgio Seguini +2
Virtual screening is a technique used in drug discovery to select the most promising molecules to test in a lab. To perform virtual screening, we need a large set of molecules as i…
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…