4 citations · 5 across the 4 of their papers we have counts for
4 papers
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…
A LSTM-enhanced surrogate model to simulate the dynamics of particle-laden fluid systems
Arash Hajisharifi, Rahul Halder, Michele Girfoglio +3
The numerical treatment of fluid-particle systems is a very challenging problem because of the complex coupling phenomena occurring between the two phases. Although accurate mathem…
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach
Gianluca Palermo, Gianmarco Accordi, Davide Gadioli +32
Today digital revolution is having a dramatic impact on the pharmaceutical industry and the entire healthcare system. The implementation of machine learning, extreme-scale computer…
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…