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BioExcel Deliverable 4.3 - Recommendations for BioExcel Training Programme

Matser, Vera

This document describes our refined recommendations for the BioExcel Training Programme.

The BioExcel Centre of Excellence (CoE) Training Programme has been developed using a competency-based training needs analysis; this method has been aligned with a number of other international projects as many of the challenges faced at this level of continued professional development are common across many domains. The competency-based approach makes the most of the expertise available within the BioExcel CoE, the detailed domain knowledge of the biomolecular simulation experts and the expertise in developing and running a successful training programme.

The current BioExcel Competency profile is presented comprising a total of 31 competencies: 5 Generic Competencies, 13 Scientific Competencies; 8 Generic Computing Competencies and 5 Parallel Computing Competencies. The competencies have been mapped against the learning outcomes of existing training resources (internal and external resources) and a gap analysis has been performed to reveal the highest training needs.

Recommendations are provided for user training based on the competency requirements of the BioExcel users. These users include:
(1) entry-level users (e.g. bench-based molecular life scientists with a very limited computational background, working in both academic and industrial settings). The training for this group will be primarily focussed on bridging the gap between life-science and HPC/HTC computing (users transitioning from a bench-based molecular life science background). The BioExcel summer school will address the training need in the generic computing competencies and a range of webinars are in preparation to assist users in gaining the necessary fundamental knowledge. (2) Specialist users (e.g. structural bioinformaticians/computational chemists, medicinal chemists and others.). The training needs for this group will be quite specific for each use case (e.g. specific software packages, optimisation). Training will include basic and advanced training in the BioExcel codes (GROMACS, HADDOCK, CPMD) and other relevant scientific software (e.g. workflow systems). (3) Systems Administrators & Applications Experts (e.g. computational service providers, including systems administrators, applications experts and others involved in providing high-end computational services and software to biomolecular scientists). The needs for this group are two-fold and will include improving the communication with the other user groups, as well as providing bespoke training for this group (likely via webinars and in collaborations with other initiatives), likely topics will include software installation.

The BioExcel Training Programme combines face-to-face events, webinars, virtual and online training.

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