Speaker
Nadia Marounina
(ETH Zurich)
Description
AlphaFold2 (AF2) is an ML-based software that revolutionized the structural biology field by folding protein sequences in 3D structures with accuracy that, in some cases, reached the experimental one. Consequently, AF2 has become a very popular software on the ETH Euler cluster. It has users with IT levels ranging from beginner to expert trying to request resources to fold their own protein sequences. We have conducted a wide range of tests to derive clear guidelines for requesting resources on Euler for AF2, avoiding the waste of CPU and GPU resources. In this presentation I will showcase how we managed to satisfactorily accommodate AF2 usage both for the users and us as the HPC provider.
