MoSGrid - Molecular Simulation Grid

In MoSGrid, the key focus is on setting up and providing grid services for performing molecular simulations. MoSGrid makes the D-Grid infrastructure available for high-performance computing in the area of molecular simulations, including the annotation of metadata results and its provision for data mining and knowledge generation. The scope of MoSGrid is to support the user in all stages of the simulation process. A portal provides access to data repositories which store information about calculated molecular properties as well as 'recipies' - standard methods for the provided applications. Furthermore, users will be supported by an evaluation of the calculation results. This facilitates the preparation and processing of data for further calculations and analyses which derive from it. Additional knowledge will be attained by cross-referencing different results data files. Furthermore, the data repository allows external referencing of simulation results.