DDGrid: Harness the Full Power of Supercomputing Systems

This paper discusses the design and implementation of Drug Discovery Grid (DDGrid) in details. The purpose of the drug discovery grid is to set up a grid environment with aggregated compute and data resources to provide the drug virtual screening services and the pharmaceutical chemistry information services. Then, emphasizes the analysis about the architecture and key technology of implementation of the DDGrid, and gives a particular description of the components of the DDGrid. Finally, the system evaluation of the DDGrid is conducted, and the job scheduling policy is analyzed.