MoSGrid(Molecular Simulation Grid)
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Abstract
MoSGrid focuses on the configuration and provision of compute services for molecular simulations. MoSGrid shall enable extensive use of infrastructure for high-performance computing in the field of molecular simulation including annotation of the results with metadata and their provision for data mining and knowledge generation. MoSGrid aims to support the users in all fields of simulation calculations. Via a portlet, the user can access data repositories where information on molecular properties as well as on "recipes" - standard methods for the provided applications – are stored. By means of these recipes simulation jobs can be automatically generated and submitted into the Grid (Preprocessing and Job Submission).
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