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News 2006 January• An overview article about the OpenMolGRID is currently in press in the Journal of Chemical Information and Modeling. The web edition is already available online. 2005 December • QSAR models developed with OpenMolGRID system have been published in the Journal of Chemical Information and Modeling. The web edition is available online. 2005 August • The final report for the OpenMolGRID project has been published. 2005 March • First software components (command line interface and workflow support) are available for download. 2005 February • OpenMolGRID system demonstration at the EGC2005 conference in Amsterdam. Two oral presentations "OpenMolGRID: Using Automated Workflows in GRID Computing Environment" and "Application driven Grid developments in the OpenMolGRID project". 2005 January • New web site: In January, 2005 a completely redesigned web site has been launced. It contains updated information about the developments of the OpenMolGRID system and is more targeted to potential users. 2004 December • Presentation “OpenMolGRID: QSAR/QSPR Applications in Grid Environment” at Cracow Grid Worksop (CGW04). 2004 November • Presentation “Modelling Aquatic Toxicity with Advanced Computational Techniques” at Knowledge Exploration in Life Science Informatics (KELSI2004), Milan. • OpenMolGRID presentation at Data, Algorithms and Results in QSAR (DARQ2004), Milan. 2004 October • OpenMolGRID demonstration at eChallenges 2004 in Vienna. • First models for cytotoxity have been developed. 2004 September • Presentation “UNICORE Deployment - Experiences from Testbeds and Production” at Global Grid Forum 12. 2004 August • Distributed data transformations with CLI have been enabled in the MOLDW. 2004 June • Presentation “OpenMolGRID: Molecular Science and Engineering in a Grid Context” at International Conference on Parallel and Distributed Processing Techniques (PDPDA04), Las Vegas. 2004 May • The project review has been passed successfully 2004 April • The first prediction models developed using the OpenMolGRID system (see example (link to models_output.gif). • The OpenMolGRID Data Warehouse MOLDW setup and populated with first test data. • OpenMolGRID: Application-driven Development of Grid Tools & Services published in GRIDSTART Newsletter • Specification of the workflow for the overall process now available (see D4.4). 2004 March • Specification of the Command Line Client for UNICORE now available (see D4.6a). • Software moduls and GUI Plugins available for semi-empirical calculations and for development of prediction models. 2004 February • Second stage of the OpenMolGRID testbed (link to testbed.gif) is fully functional. 2004 January • Presentation and Posters on OpenMolGRID results at AxGrids'2004. • Specification of the workflow for QSAR/QSPR model development now available (see D4.3). • Project review passed. 2003 December • Coordinating site changed from University of Tartu to Forschungszentrum Juelich. 2003 October • First OpenMolGRID results presented at the IST2003 Exhibition October 2-4, 2003, Milan, Italy. 2003 September • Project workplan changed and new tasks added to Data Management for enabling the data warehouse transformation process to use Grid resources and for developing a custom data repository and to Grid Integration for developing a command line client. 2003 May • First stage of the OpenMolGRID testbed with partners Juelich and Tartu functional. 2002 November • Web site launched 2002 October • Project kick-off meeting in Garching. 2002 September • Project started on September 1. |
