Centre of Excellence for Biomolecular Research
- Website: http://bioexcel.eu
- Started: November 1, 2015
- Project reference: http://cordis.europa.eu/project/rcn/198303
BioExcel is a Centre of Excellence for Biomolecular Research, funded as a project for three years by the EC Horizon 2020 program for e-Infrastructure. The centre will facilitate the use of high-performance computing (HPC) and high-throughput computing (HTC) in biomolecular research, both in academia and industry.
The BioExcel project aims to improve the performance, efficiency, scalability and accessibility of software for biomolecular modelling (in particular GROMACS, HADDOCK and CPMD), allowing such tools to be scaled up to run on larger supercomputer systems, while also making them easier for biomolecular researchers to use on computational infrastructures by providing training and guidance on best practices and integration with commonly used workflow systems such as KNIME, Galaxy, Apache Taverna or COMPSs.
As a Centre of Excellence, BioExcel gathers biomolecular consultants with experience in both HPC/HTC and the life sciences, who can assist both academic and industrial researchers with using and improving tools for computational biomolecular research.
eScience Lab contributions
The eScience Lab contributes to BioExcel in two work packages:
- WP2: Portable Environments for Computing and Data Resources - integrating biomolecular tools with scientific workflow systems, improving deployment (e.g. with Docker)
- WP3: Consultancy & User Groups - engaging user community, training and documentation