BioExcel is the leading European Centre of Excellence for Computational Biomolecular Research. BioExcel develops some of the most popular open-source applications for modelling and simulations of biomolecular systems along with user-friendly workflows and container solutions. The software stack comes with great performance and scalability capabilities for extreme-scale utilization of the world's largest high-performance computing (HPC) and high-throughput computing (HTC) compute resource.