News

Publications

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.

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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

Publication at PDSW 2021 (SC21 Workshop) 6TH INTERNATIONAL PARALLEL DATA SYSTEMS WORKSHOP (HELD IN CONJUNCTION WITH SC21: THE INTERNATIONAL CONFERENCE FOR HIGH PERFORMANCE COMPUTING, NETWORKING, STORAGE AND ANALYSIS)

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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

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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

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GPUs
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

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

IWOCL 22: International Workshop on OpenCL

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SYCL
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

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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

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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

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Events

HPCSE 2024

HPCSE 2024
MAY 20 – 23, 2024 Hotel Soláň, Czech Republic

The High Performance Computing in Science and Engineering 2024 conference, which has a long history, is organized by IT4Innovations National Supercomputing Center, VSB – Technical University of Ostrava. Our aim is to bring together international specialists in high performance computing, applied mathematics, numerical analysis, high performance data analytics, machine/deep learning, quantum computing, and advanced visualization, to exchange experience and ideas, and initiate new research collaborations.

e-infra-cz-24

Project to create a large modernised national research e-infrastructure e-INFRA CZ
29 – 30 April 2024 in Prague

The project was declared by the Ministry of Education, Youth and Sports in accordance with the Road Map of the Czech Republic for Large Infrastructures for Research, Experimental Development and Innovations.

Ligate Project 2024

Ligate Project 2024
3-5 April in Prague

Ligate Project meeting in Prague 04/05/2024.

EuroHPC 2024

EuroHPC 2024
18-21 March in Antwerp, Belgium

Central to this year's Summit were discussions on exascale and post-exascale computing, artificial intelligence (AI) for HPC, and quantum computing. The programme featured an extensive array of topics, including international collaboration, the integration of industrial players and SMEs within the EuroHPC ecosystem, energy efficiency in HPC, and a fully packed session on advancements in European chip initiatives for HPC.

BIOTECHX 23

BIOTECHX 2023
4- 6 Oct 2023 Basel Congress Center, Basel Switzerland

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.

EuroPar 23

EuroPar 2023
28 August – 1 September 2023 Limassol, Cyprus

29th International European Conference on Parallel and Distributed Computing Euro-Par is the prime European conference covering all aspects of parallel and distributed processing, ranging from theory to practice, from small to the largest parallel and distributed systems and infrastructures, fromfundamental computational problems to full-fledged applications, from architecture, compiler, language andinterface design and implementation, to tools, support infrastructures, and application performance aspects.

EUDAT 23

EUDAT 2023
Between 26 and 30 of June 2023 in Kajaani, Finland.

This edition aims to strengthen the skills required to excel in data management, getting the participants geared up to manage and process data throughout the full, research-data lifecycle (data discovery; data processing; data analysis; data preservation and publishing).

PASC 2023

PASC 2023
June 26 to 28, 2023 Congresscenter Davos, Switzerland

The Platform for Advanced Scientific Computing (PASC) Conference, co-sponsored by the Association for Computing Machinery (ACM) and the Swiss National Supercomputing Centre (CSCS), will be held from June 26 to 28, 2023 at the Congress Center Davos, located in Davos, Switzerland. The theme for PASC23 focuses particularly on advances in aggregating, synthesizing, and transitioning across scales, domains, and communities.

TERATEC 2023

TERATEC 2023 Forum
Wednesday May 31 and Thursday June 1, 2023 Parc Floral de Paris

The European meeting for Experts in High Power Digital Simulation - HPC/HPDA - Artificial Intelligence - Quantum Computing.

Workshop-Drug Repurposing

Personalized Health Series - "Drug Repurposing"
12 May 2023, Basel Switzerland

Third Workshop on “Drug Repurposing” University of Basel, University Hospital of Basel, Interpharma.

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.

SC22

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.

BIOTECHX 2022
BIOTECHX 2022 
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.

SAS
BE CURIOUS. BE INNOVATIVE. 
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

Teratec

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
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.  

Teratec
TERATEC 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
2019

Presentation at European House AMBROSETTI - Regione Campania

EXAHEALTH 2021
EXAHEALTH 2021 
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.

SC21
Supercomputing Conference 2021
St. Louis, USA

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

eurocc
Eurocc
2021

Inspired by the request of to place LIGATE on the eurocc website https://eurocc-austria.at/, 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

download pdf

HyperQueue facilitates full utilisation of the computational resources of supercomputers

IT4Innovations

Press Release - 9 January 2023

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NAPLES, 15 SEPTEMBER 2021 - Seven hundred square meters and over 40 committed researchers.

Press Release - 15 September 2021

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IT4Innovations part of 16 Horizon 2020 projects and one of the key innovators

IT4Innovations website - 4 August 2021

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Informatik Beschleunigt die Medikamentenforschung - Description of LIGATE project and involvement of UIBK

Universität Innsbruck official website - 14 July 2021

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ČR SE ÚČASTNÍ VÝVOJE TECHNOLOGIÍ PRO EVROPSKÉ SUPERPOČÍTAČE

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

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Czechia participates in the development of new technologies for European supercomputers

Large Research Infrastructure website - 20 April 2021

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Cercare una cura per il Covid-19 con l’aiuto dei supercomputer

OggiScienza website - 25 March 2021

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We are frontrunner. Research Consortium LIGATE: tofmotion drives the next step in ToF (Time-of-Flight) 3D simulations

tofmotion website - 17 March 2021

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Dompé Announces Exscalate4CoV’s Successor in the HPC Fight Against Pandemics

HPC wire website - 23 February 2021

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Ligate: la nuova iniziativa contro la pandemia finanziata dall’Ue con 5,9 milioni di euro

Aboutpharma website - 18 February 2021

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New projects supporting drug design in response to pandemics & HPC software for European key industries

European Commission official website - 15 January 2021

download pdf

LIGATE: NEW EUROPEAN BACKED EFFORT AGAINST PANDEMICS KICKS OFF WITH 5,9 MLN €

EuroHPC JU

Press Release - 15 January 2021

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IT4Innovations to support drug design through the LIGATE project

IT4Innovations website - 1 January 2021

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ADDRESS

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

EMAIL

info@ligateproject.eu

LINKS

Dompé

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.