Publications on ZENODO

The central goal of LIGATE project is to create and validate a leading application solution for drug discovery in High Performance Computing (HPC) systems up to the exascale level.

High-Performance Computers
A Review on Parallel Virtual Screening Softwares for High-Performance Computers
Murugan, N.A.; Podobas, A.; Gadioli, D.; Vitali, E.; Palermo, G.; Markidis, S.

Drug discovery is the most expensive, time-demanding, and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from large-sized chemical libraries.

Molecular Docking
Understanding the I/O Impact on the Performance of High-Throughput Molecular Docking
Authors from KTH and PoliMi: Stefano Markidis, Davide Gadioli, Emanuele Vitali, Gianluca Palermo


Virtual Screening
An extreme-scale virtual screening platform for drug discovery
Gadioli, Davide and Vitali, Emanuele and Ficarelli, Federico and Latini, Chiara and Manelfi, Candida and Talarico, Carmine and Silvano, Cristina and Beccari, Andrea. R. and Palermo, Gianluca

PACM International Conference on Computing Frontiers

High-Performance Computers
HyperQueue: Overcoming Limitations of HPC Job Managers
Stanislav Böhm, Jakub Beránek, Vojtěch Cima, Roman Macháček, Vyomkesh Jha, Alfréd Kočí, Branislav Jansík, Jan Martinovič

SC 21, The International Conference for High Performance Computing, Networking, Storage, and Analysis

ndzip-gpu: efficient lossless compression of scientific floating-point data on GPUs
Fabian Knorr, Peter Thoman, Thomas Fahringer

SC '21: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

On the Compilation Performance of Current SYCL Implementations
Thoman, Peter and Molina Heredia, Facundo and Fahringer, Thomas

IWOCL 22: International Workshop on OpenCL

Celerity: How (Well) Does the SYCL API Translate to Distributed Clusters?
Philip Salzmann, Fabian Knorr, Peter Thoman, Biagio Cosenza

IWOCL 22: International Workshop on OpenCL

Drug Discovery
Towards a Portable Drug Discovery Pipeline with SYCL 2020
Luigi Crisci, Majid Salimi Beni, Biagio Cosenza, Nicolò Scipione, Davide Gadioli, Emanuele Vitali, Gianluca Palermo, Andrea Beccari

IWOCL 22: International Workshop on OpenCL

GPU optimization
FLEXDP: flexible frequency scaling for energy-delay product optimization of GPU applications
Kaijie Fan, Biagio Cosenza, Ben H. H. Juurlink

ACM International Conference on Computing Frontiers


BIG Data Value

At the heart of the ecosystem for Data & AI
21-23 November, 2022 at Prague, Czech Republic

The 2022 edition was built around the theme “At the heart of the Ecosystem for Data and AI”. The event brought together industry professionals, business developers, researchers and policy-makers from all over Europe and other regions of the world to advance policy actions, and industrial and research activities in the areas of Data and AI.


The International Conference for High Performance Computing, Networking, Storage, and Analysis
13-18 November, 2022 at Kay Bailey Hutchison Convention Center Dallas

Our world is changing rapidly. Complex challenges are suddenly arising alongside an urgent demand for answers. Leveraging HPC, skilled minds employ innovative technologies to respond to the call — driven by data, simulating possibilities, and unlocking new solutions.

8-10 November, 2022

 BioTechX Europe is Europe’s largest congress covering diagnostics, precision medicine and digital transformation in pharmaceutical development and healthcare. Over the years we have fostered strong relationships with local partners such as the Canton of Basel, Novartis, Roche and various incubators to cover the full pipeline of drug development.

3 November, 2022

 "Be Curious. Be Innovative." riunisce la community di innovatori, manager e professionisti, per condividere creatività, lungimiranza e ingegno nell’affrontare le sfide di questo tempo, mettendo al centro l’approccio data driven.

Big Science Business Forum 2022
Big Science Business Forum 2022 
4th and 8h October, 2022 at Granada

 E4 will participate in the Big Science Business Forum 2022 in Granada, showing LIGATE material


Europa Village as part of 7th Teratec Forum
14th and 15h June, 2022 at Ecole Polytechnique, Palaiseau, France

A dedicated area for the European HPC ecosystem. In 2022, a central area will gather all organizations working on the development of the European supercomputing infrastructure and on the success of European technological innovation in the fields of HPC, Big Data and AI, particularly within the EuroHPC programme and its successor.

ISC High Performance
ISC High Performance 
Sun, May 29, 2022 – Thu, Jun 2, 2022, Munich

ISC is the largest European event of HPC, AI and HPDA
E4 showed the projects in which E4 participates, including LIGATE through several presentations.  

Energy reduction for AI loads - webinar highlights
Power consumption in DataCenters, HPC and AI workloads
at the on-line Webinar on «Energy reduction for AI workloads» organized by E4 in the context of other funded projects

Dr. Gianluca Palermo, from POLIMI, has been member of the panel “Power consumption in DataCenters, HPC and AI workloads” at the on-line Webinar on «Energy reduction for AI workloads» organized by E4 in the context of other funded projectsDuring the panel, It has been brought the view from the LIGATE perspective.

Horasis Extraordinary Meeting 
on the United States of America, held on 18 March 2021

Presentation of LIGATE project by Mr Coletti (CHELONIA)

ISC High Performance
ISC High Performance 
24 June-2 July 2021

LIGATE had a Virtual Booth at ISC 2021.  

22-24 June 2021

Along three days, a virtual Exhibition was set to gather leading Simulation and HPC players. Solution and technology suppliers, software developers, integrators and publishers, service providers and academic researchers, with experts from competitiveness clusters and public bodies have presented their latest innovations. We found thus gathered:
• Hardware suppliers, from single component to Data Center;
• Software publishers, from system to application;
• Service providers, from consulting to operations;
• Research from University and Industry, moving forward with technology;

La Campania verso il futuro: opportunità e sfide dell’ecosistema dell’innovazione e  della ricerca
European House AMBROSETTI - Regione Campania

Presentation at European House AMBROSETTI - Regione Campania

18 October 2021

LIGATE featured prominently in first-of-its-kind virtual conference about exascale computing and machine learning for public health. Held on 18 October 2021 and Co-organized by CERN openlab and Chelonia.
Featuring keynote talks and a panel discussion about the future of HPC / ML for public health in Europe and beyond, with experts from CERN, EuroHPC JU, Dompé farmaceutici, SAS, & CINECA 182 registrants, of which 142 signed up for the mailing list for info about future events.

DKMA Data Analytics Centre
Innovation talk, DKMA Data Analytics Centre
Danish Medicine Agency – 27 October 2021

Conversation held by Dr. Andrea Beccari, Dr. Gianluca Palermo and Dr. Silvano Coletti from LIGATE.

Big Science Business Forum 2022
17th IEEE eScience 2021
Sep 20-23, 2021 Innsbruck (virtual)

 scientific computing conference organized by Thomas Fahringer as general chair.

HPC, Big Data, IoT and AI future industry-driven
HPC, Big Data, IoT and AI future industry-driven collaborative strategic topics  
23 March 2021 . Digital event

The LEXIS platform for advanced computing and Big Data.

Supercomputing Conference 2021
St. Louis, USA

IT4Innovations had a booth (number 1417) where promoting the activities of the LIGATE project. 


Inspired by the request of to place LIGATE on the eurocc website, they decided to make an Austrian Event presenting EU funded projects in the field of HPC. Tofmotion from Ligate was one of the speakers

Press Releases

Ministry of Education, Youth and Sports - Czech Republic official website - 20 April 2021

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c/o Dompé farmaceutici
Via Tommaso De Amicis, 95
80145 Napoli, Italy

This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 956137. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and Italy, Sweden, Austria, Czech Republic, Switzerland.