This project aims to develop and optimise key drug discovery software from industry for the fastest supercomputers in Europe. This software should make it possible to run a drug discovery campaign in less than a day in order to respond immediately to pandemics.
LIGATE (https://www.ligateproject.eu) was proposed for funding by the EU with the maximum number of points, has a budget of € 5.9 million for a period of 3 years and is coordinated by an Italian pharmaceutical company (Dompe). A total of 11 companies and universities from the EU are involved. The "Distributed and Parallel Systems" research group at the Department of Computer Science and the HPC research centre are participating as work package leaders with funding of € 600,000. They are responsible for the parallelisation and optimisation of the runtime and energy consumption for the above-mentioned drug discovery software for GPU-based supercomputers.