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The most recent news from our NCC.

03/01/2024 - Flemish Supercomputer Centre is hiring!

Illustration vacancies user support for Flemish Supercomputer Center (picture by Andrea Piacquadio: https://www.pexels.com/)

Our partner, The VSC (Flemish Supercomputer Center - www.vscentrum.be) is looking for talented, self-driven individuals to join their world-renowned team in Flanders:

  • Collaborator local VSC Tier-2 support team | UAntwerp | Full-time |
     

    Together with your colleagues, you will support users on the VSC infrastructure. Apply here (deadline 19/02/2024)
     
  • Collaborators VSC’s Tier-0 support team and the upcoming EuroHPC EPICURE project | UAntwerp | Full-time

    The EuroHPC EPICURE project focuses on “application support”: efficiency of the installation, enabling, and porting of applications to the different EuroHPC supercomputer architectures, and improving of code scalability and performance, in collaboration with the support teams at, all currently, 5 petascale, 3 pre-exascale and 2 exascale EuroHPC sites. Together with your colleagues, you will support Tier-0 users on LUMI and other European Tier-0 machines offered by the EuroHPC JU  and participate in the EPICURE tasks for the University of Antwerp. Apply here (deadline 19/02/2024)

Interview Series Talks with Dirk Roose Part III - is now available

Dirk Roose

As we approach the end of the year, the season of giving is upon us. As a special early holiday treat from @EuroCC Belgium, we are delighted to present the third and final installment of our insightful interview with Professor Emeritus Dirk Roose! In this concluding article, Prof. Roose delves into the fascinating evolution of High-Performance Computing (HPC) and its future, exploring the growing integration of supercomputing in various industries ⚡. Additionally, he reflects on his illustrious career and offers a glimpse into his post-professor life.

Are you ready for the culminating part of this captivating journey down memory lane with Emeritus Professor Dirk Roose?

Discover the full article at https://www.enccb.be/talksdirkroosepart3

Webinar A.I. in Structural Biology 19/01/2024

Event A.I. in Structural Biology 19/01/2024

Join our webinar on January 19th 2024, to delve into the transformative role of AI in structural biology, spearheaded by AlphaFold2. Discover how this cutting-edge technology is reshaping our approach to protein structures, enhancing knowledge of protein-protein interactions, and leading the way in de novo protein design.

We are thrilled to welcome the following speakers for an enlightening session filled with groundbreaking insights at the forefront of AI applications in structural biology: 

Prof. Arne Elofsson (Stockholm University) -  Towards a Complete Structural Map of the Human Proteome Using AlphaFold 

Prof. Arne Elofsson"How far are we from a complete understanding of protein-protein interactions in a human cell?  

 

 

 

Cellular functions are governed by molecular machines that assemble through protein-protein interactions. Their atomic details are critical to studying their molecular mechanisms. Today the structure of virtually all individual proteins is available from predictions using AlphaFold. However, these predictions are limited to individual chains and do not include interactions. In this talk I will describe our attempts to increase the structural coverage of protein-protein interactions. Today fewer than 5% of hundreds of thousands of human protein interactions have been structurally characterised. We show that combining predictions and experiments can orthogonally confirm higher-confidence models, and using AlphaFold2, we have built 3,137 high-confidence models, of which 1,371 have no homology to a known structure. We are exploring rapid methods to identify protein interaction networks. Finally, we show how the predicted binary complexes can be used to build very larger assemblies using a Monte Carlo Tree search method.

Casper Goverde (EPFL) - Functional design of soluble analogs of integral membrane proteins 

Casper Goverde"Deep learning-based tools can be used to push the frontier of complex proteins forwards. Inspired by natural membrane proteins, we show how complex structural and functional features of membrane proteins can be recapitulated in soluble analogs."

 

 

Breakthroughs in the field of computational protein design allows for the design of ever larger and more complex protein folds. However, there is a significant gap that needs to be bridged to reach the complexity and functionality of natural protein folds. The aim of this talk is to show how deep learning-based tools can be used to push the frontier of complex proteins forwards. Inspired by natural membrane proteins such as G-Protein Coupled Receptors and claudins, we show how complex structural and functional features of membrane proteins can be recapitulated in soluble analogs. The expansion of the soluble fold space opens the door to new applications in biotechnology such as novel protein sensors and potentially new drug discovery approaches. 

Dr. Maxim Tsenkov (EMBL-EBI) - Harmonising Structure and Function: An Illumination of the Protein Landscape

Dr. Maxim Tsenkov, EMBL-EBI, UK "Join me as we equip you, the scientific community, with the necessary tools and methods to utilise this wealth of data, driving forward discovery and innovation at the crossroads of AI and biology." 

 

 

Artificial intelligence has revolutionised structural biology, extending its reach to a broader scientific audience. At AlphaFold Protein Structure Database, we make these predicted structure models widely accessible, supporting diverse research with tools like Foldseek. This integration allows for deep exploration of the protein universe, enhancing understanding of structure and function. Join me as we equip you, the scientific community, with the necessary tools and methods to utilise this wealth of data, driving forward discovery and innovation at the crossroads of AI and biology.

More information and registration via www.vscentrum.be/events/alphafold-event-3 

 

Get Access to LUMI Supercomputer - Apply before 1 December 2023

LUMI Open Call December 2023

LUMI is one of the pan-European pre-exascale supercomputers. It is also the fastest supercomputer in Europe (the Top500 list published in May 2023) and the third fastest globally. 

Would you like compute time on LUMI? You can apply now (deadline: 1 December at 23.59 h CET). 

You can find the application form and detailed instructions at https://www.enccb.be/GettingAccess

Want to know more about LUMI and how it can boost your research?

Researcher Tim Lebailly's quest to revolutionise AI training methods led him to embrace the power of the LUMI supercomputer.

Tim Lebailly

"LUMI is great for Belgium as it allows users to get very large amounts of compute. Currently, I am finishing my allocation on Hortense (Tier-1) in Ghent. To give an example, during the pilot phase on LUMI, I was able to run an experiment over 4 days which is equal to a bit more than my full allocation on Hortense for 8 months! This gives me the opportunity to scale up my research to state-of-the-art neural networks.

Read all about it in this EuroCC user story: https://www.enccb.be/uslumitlebailly 

 

 

Next VSC Flemish Tier-1 supercomputer managed by VUB

Nexus data center at VUB's Green Energy Park site

Our consortium partner, Flemish Supercomputer Center (Vlaams Supercomputer Centrum - VSC), has announced that the Vrije Universiteit Brussel (VUB) will be the proud host and manager of VSC’s next Flemish Tier-1 supercomputer. The new supercomputer represents a significant investment of 12 million euros and will go online in the autumn of 2025. It will be open to all Flemish researchers, companies, and SMEs.

Strategic importance of supercomputing in Flanders

Jo Brouns, the Flemish Minister for Science Policy and Innovation, puts it best:

"Supercomputers are strategically vital for Flanders. This infrastructure empowers our industries, Flemish researchers, and government agencies to tackle the challenges of tomorrow. From accelerating complex calculations to enhancing climate simulations and training AI models, the benefits are boundless. Not to forget, supercomputers played a pivotal role in our fight against COVID-19, aiding in virus spread mapping”

The VSC, which falls under the authority of the Fonds Wetenschappelijk Onderzoek - Vlaanderen (FWO), is a collaboration between the five Flemish university associations. The VSC provides the broad Flemish research community (universities, university colleges, companies) with infrastructure and support to perform large scientific computations. That infrastructure consists of supercomputers, a cloud environment, and large-scale data storage capacity. Based on their capacity, supercomputers are divided into two tiers: Tier-2, of which each university has one in its own data center, and Tier-1, of which there is only one for the whole of Flanders. 

This is the first time the VUB has been allowed to host and manage that Flemish Tier-1 supercomputer. Its predecessor, Hortense, is currently still housed and managed by UGent. 

The new supercomputer will find its home in the Nexus data center at VUB's Green Energy Park site in Zellik. This state-of-the-art facility will be the greenest data center in Belgium This aligns perfectly with VUB's vision of transforming the research park into a thriving innovation campus in Zellik.

More information: https://press.vub.ac.be/vub-zal-de-nieuwe-vlaamse-tier-1-supercomputer-huisvesten-op-haar-green-energy-park-site (VUB press release in Dutch)