2 papers
cs.DC2025
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…
cs.DC2024
Efficient Parameter Tuning for a Structure-Based Virtual Screening HPC Application
Bruno Guindani, Davide Gadioli, Roberto Rocco +2
Virtual screening applications are highly parameterized to optimize the balance between quality and execution performance. While output quality is critical, the entire screening pr…