Handbook of European HPC projects


Centre of Excellence for Computational Biomolecular Research

BioExcel is the leading European Centre of Excellence for Computational Biomolecular Research. We develop advanced software, tools and full solutions for high-end and extreme scale computing for biomolecular research. The centre supports academic and industrial research by providing expertise and advanced training to end-users and promoting best practices in the field. The centre aspires to operate in the long-term as the core facility for advanced biomolecular modelling and simulations in Europe. 


Much of the current Life Sciences research relies on intensive biomolecular modelling and simulation. As a result, both academia and industry are facing significant challenges 

when applying best practices for optimal usage of compute infrastructures. At the same time, increasing productivity of researchers will be of high importance for achieving reliable scientific results at faster pace. 

High-performance computing (HPC) and high-throughput computing (HTC) techniques have now reached a level of maturity for many of the widely-used codes and platforms, but taking full advantage of them requires that researchers have the necessary training and access to guidance by experts. The necessary ecosystem of services in the field is presently inadequate. A suitable infrastructure is needed to be set up in a sustainable, long-term operational fashion. 

BioExcel CoE was thus established as the go-to provider of a full-range of software applications and training services. These cover fast and scalable software, user-friendly automation workflows and a support base of experts. The main services offered include hands-on training, tailored customization of code and personalized consultancy support. BioExcel actively works with:

  1. academic and non-profit researchers,

  2. industrial researchers,

  3. software vendors and academic code providers,

  4. non-profit and commercial resource providers, and

  5. related international projects and initiatives.

The centre was established and operates through funding by the EC Horizon 2020 program (Grant agreements 675728 and 823830).


Rossen Apostolov

H2020 Centre of Excellence


Coordinating Organization:
KTH Kungliga Tekniska Högskolan, Sweden

Project Timespan
2019-01-01 – 2022-06-30

Other Partners:
  • The University of Manchester, United Kingdom
  • University of Utrecht, Netherlands
  • IRB – Institute of Research in Biomedicine, Spain
  • EMBL-EBI – European Molecular Biology Laboratory, United Kingdom
  • FZJ – Forschungszentrum Jülich GmbH, Germany
  • University of Jyväskylä, Finland
  • EPCC – The University of Edinburgh, United Kingdom
  • Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V., Germany
  • Across Limits, Malta
  • BSC – Barcelona Supercomputing Center, Spain
  • Ian Harrow Consulting, United Kingdom
  • Norman Consulting, Norway
  • Nostrum Biodiscovery, Spain