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04/19/2023
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach
Today digital revolution is having a dramatic impact on the pharmaceutic...
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03/09/2023
Improving computation efficiency using input and architecture features for a virtual screening application
Virtual screening is an early stage of the drug discovery process that s...
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03/06/2023
Fault Awareness in the MPI 4.0 Session Model
The latest version of MPI introduces new functionalities like the Sessio...
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09/12/2022
GPU-optimized Approaches to Molecular Docking-based Virtual Screening in Drug Discovery: A Comparative Analysis
COVID-19 has shown the importance of having a fast response against pand...
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09/05/2022
A Fault Resilient Approach to Non-collective Communication Creation in MPI
The increasing size of HPC architectures makes the faults' presence an e...
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11/30/2021
A Review on Parallel Virtual Screening Softwares for High Performance Computers
Drug discovery is the most expensive, time demanding and challenging pro...
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10/22/2021
EXSCALATE: An extreme-scale in-silico virtual screening platform to evaluate 1 trillion compounds in 60 hours on 81 PFLOPS supercomputers
The social and economic impact of the COVID-19 pandemic demands the redu...
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05/27/2021
Dynamic Network selection for the Object Detection task: why it matters and what we (didn't) achieve
In this paper, we want to show the potential benefit of a dynamic auto-t...
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04/29/2021
Legio: Fault Resiliency for Embarrassingly Parallel MPI Applications
Due to the increasing size of HPC machines, the fault presence is becomi...
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03/06/2021
EVEREST: A design environment for extreme-scale big data analytics on heterogeneous platforms
High-Performance Big Data Analytics (HPDA) applications are characterize...
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05/06/2020
A Collaborative Filtering Approach for the Automatic Tuning of Compiler Optimisations
Selecting the right compiler optimisations has a severe impact on progra...
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05/06/2020
A Collaborative Filtering Approah for the Automatic Tuning of Compiler Optimisations
Selecting the right compiler optimisations has a severe impact on progra...
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01/18/2019
Tunable Approximations to Control Time-to-Solution in an HPC Molecular Docking Mini-App
The drug discovery process involves several tasks to be performed in viv...
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01/18/2019
Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes
In drug discovery, molecular docking is the task in charge of estimating...
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01/18/2019
On-line Application Autotuning Exploiting Ensemble Models
Application autotuning is a promising path investigated in literature to...
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01/18/2019
An Efficient Monte Carlo-based Probabilistic Time-Dependent Routing Calculation Targeting a Server-Side Car Navigation System
Incorporating speed probability distribution to the computation of the r...
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01/18/2019
The ANTAREX Domain Specific Language for High Performance Computing
The ANTAREX project relies on a Domain Specific Language (DSL) based on ...
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01/13/2018