Imagine trying to solve a giant 3D puzzle of a protein to find where a drug can plug in, but the puzzle has millions of pieces. This project provides the super-powered computers and specialized software to solve those puzzles in days instead of years. It's like giving scientists a high-speed digital laboratory to test medicines before ever touching a petri dish.
Drug discovery and biotech research are slowed down by the massive computational power required to simulate molecules. Companies struggle to port their research to the newest supercomputers efficiently.
Optimized, high-performance versions of open-source biomolecular software (GROMACS, HADDOCK) and a comprehensive training program for the next-generation workforce.
If you are a drug discovery firm dealing with slow lead identification — this project developed optimized codes like GROMACS and HADDOCK that enable identifying drug candidates within a year. This significantly reduces the time from initial research to clinical trials.
If you are a biotech company dealing with complex biomolecular simulations — this project developed high-performance software capable of scaling up to 128 GPUs. This allows for more accurate modeling of biological processes at an industrial scale.
If you are an agri-tech company dealing with crop resilience research — this project developed a convergence of HPC and AI approaches. This helps in simulating molecular interactions to improve food industry outcomes and agricultural efficiency.
Based on available project data, the center provides open-source applications, but it also establishes sustainable business paths for companies needing commercial support or specific feature funding.
Yes, the project demonstrates scaling benchmarks up to 128 GPUs or 2048 CPU cores on machines like LUMI, meeting industrial needs for high-performance computing.
The project focuses on supporting and maintaining key European open-source applications, ensuring they remain accessible while providing paths for commercial support.
The project focuses on the convergence of high-performance computing (HPC), high-throughput computing (HTC), and high-performance data analytics (HPDA) to provide usable workflows.
The current phase of the project runs from 2023-01-01 to 2026-12-31.
The consortium consists of 9 partners across 6 countries, showing a strong European footprint. With an industry ratio of 22% (including 2 industrial partners and 1 SME), the project balances academic research with commercial application, led by a major technical university (KTH).
Contact KUNGLIGA TEKNISKA HOEGSKOLAN for partnership inquiries.
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