Abstract
Cloud computing environments, such as Amazon AWS, Microsoft Azure, Google Cloud Platform, etc., achieve computational performance improvement remarkably in recent years, and is also useful in parallel computing (high-performance computing, HPC) fields. Cloud enables users to get thousands of CPU cores and GPU accelerators casually, and several software are used very easy by cloud images. We have transplanted original protein-protein interaction prediction (protein-protein docking) software, MEGADOCK, to the Microsoft Azure HPC environment. We have obtained strong scaling value of 84% with virtual machines of Azure A9 instance up to 1,200 CPU cores. In future, MEGADOCK will link to web interface and GUI local client on Azure cloud to be more easy-to-use for non-computer scientists.
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