Description:Molecular Simulation Grid
Abstract:MoSGrid focuses on the configuration and provision of Grid services for molecular simulations. MoSGrid shall enable extensive use of D-Grid-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). Moreover, the users are supported at the analysis of their calculation results. This facilitates the postprocessing of the data for subsequent calculations and analyses. Through the cross-referencing of different result data sets new insights can be achieved. The data repository additionally allows external referencing of simulation results. The MoSGrid Portal is powered by gUSE WS-PGRADE.
For the time being, MoSGrid is available for scientists working in Germany. This is due to a transition process to NGI-DE. We are currently changing the VO management process as well as the authentication system. Please stay tuned.
If you are interested in MoSGrid, please contact us contact(at)mosgrid.de