Paper-Conference

ZSMILES: An Approach for Efficient SMILES Storage for Random Access in Virtual Screening

Jul 1, 2024

LIGATE - LIgand Generator and portable drug discovery platform AT Exascale

Jul 1, 2024

Unlocking performance portability on LUMI-G supercomputer: A virtual screening case study

Apr 1, 2024

Domain-Specific Energy Modeling for Drug Discovery and Magnetohydrodynamics Applications

Nov 1, 2023

Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach

Jul 4, 2023