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Andrea R. Beccari
Latest
A Portable Drug Discovery Platform for Urgent Computing
Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities
GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis
Unlocking performance portability on LUMI-G supercomputer: A virtual screening case study
ZSMILES: An Approach for Efficient SMILES Storage for Random Access in Virtual Screening
Autotuning and adaptivity in energy efficient HPC systems: The ANTAREX toolbox
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