BioExcel is the leading European Centre of Excellence for Computational Biomolecular Research. It is a major research and innovation hub for scientific computing, developing some of the most popular applications for modelling and simulations of biomolecular systems. BioExcel was established in 2015 and is now supported by the Horizon Europe programme.
Its mission is to accelerate the development and usability of the most widely used European open-source software for computational biomolecular research: GROMACS for molecular dynamics simulations; HADDOCK for integrative docking; PMX for free energy calculation preparation, and ensure that this continues to achieve significant impact in the international HPC landscape. These applications can be used with a range of pre-/post-processing tools within user-friendly workflows and container solutions. The software stack comes with great performance and scalability capabilities for extreme-scale utilization of the worlds largest high-performance computing (HPC) and high-throughput computing (HTC) resources.
BioExcel collaborates closely with the European High Performance Computing Joint Undertaking (EuroHPC JU) and participating member states – and the network of the National Competence Centres for HPC.