Out of kernel tuning and optimizations for portable large-scale docking experiments on GPUs

Gianmarco Accordi, Davide Gadioli, Emanuele Vitali, Luigi Crisci, Biagio Cosenza, Andrea Beccari, Gianluca Palermo
January 2024
Cite DOI URL
Type
Journal article
Publication
THE JOURNAL OF SUPERCOMPUTING
GPUs CUDA SYCL HPC Molecular Docking HighPerformance Virtual Screening GPU Accelleration