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TERATEC 2025 Forum
The European meeting for Experts in High Power Digital
Simulation . HPC/HPDA . Artificial Intelligence . Quantum Computing
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Workshop 04 - 4:15 pm to 6:15 pm
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HPC, AI and quantum digital technologies in healthcare
Chaired by Yves Vandenbrouck, Research Director, CEA
and Christian Saguez, Co-founder and Honorary Chairman, Teratec
Accelerated industrialisation of drug discovery through AI-robotics-Cloud integration
By Nicolas Do Huu, Co-founder and CTO, Iktos
and Gilles Tourpe, Business Development Manager HPC, AWS
Drug discovery is a long and costly process: it typically takes €50-100m and three to five years to transform a biological target into a candidate, with only a 10-20% chance of success. To halve this timeframe, Iktos combines three AI building blocks: (1) a generative AI (Makya) that, thanks to docking simulations run in real time on AWS, explores a chemical space of 10²⁷ molecules while taking synthetic feasibility into account; (2) a retrosynthesis AI (Spaya) parallelized in the cloud, capable of instantly proposing optimal synthesis routes; (3) a planning AI that pilots an autonomous chemistry robot offering the productivity of thirty chemists, creating a continuous Design-Make-Test loop. This integrated chain already covers design and synthesis; the forthcoming addition of purification and biological testing, funded by a recently accepted EIC project, will complete the end-to-end automation and further accelerate the DMT cycle.
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Biography: Nicolas Do Huu est un entrepreneur-chercheur français, titulaire d’un doctorat en intelligence artificielle du LAAS-CNRS. Il a cofondé Iktos en 2016 et, en tant que directeur technique (CTO), pilote la stratégie d’IA et de robotique de l’entreprise afin d’accélérer la découverte de médicaments. Avant Iktos, il a constitué des équipes de data science à grande échelle chez relevanC (Groupe Casino) et Publicis ETO. Sa carrière allie une recherche technique approfondie à la direction de produits industriels d’IA dans les domaines de la chimie, du retail et du marketing. |
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Biography: Gilles Tourpe is a technology leader with over two decades of experience in the field of High Performance Computing (HPC). His journey began with his first work experience on a trading floor, which instilled in him a commitment to delivering practical and usable solutions for customers and partners. Prior to joining Amazon Web Services (AWS) in September 2019, Tourpe held various positions in technology companies, where he honed his expertise in HPC/HTC. At AWS, he covers multiple verticals, including Oil & Gas, Research, Automotive, Manufacturing, Financial Services, and Life Sciences, leveraging his deep understanding of the industry's needs. Gilles's passion for collaboration and partnership has been a driving force throughout his career. He represents AWS in the ETP4HPC organization (European Technology Platform for High Performance Computing), fostering cooperation within the HPC ecosystem. Additionally, he played a pivotal role in initiating the TERATEC Hackathon, a platform for developing HPC engineers. Recognizing the value of academic collaborations, Gilles has developed partnership agreements with the University of Luxembourg, enabling the Uni researchers to access latest AWS Graviton technology. |
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