• 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".
• 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.
• Presentation “OpenMolGRID: QSAR/QSPR Applications in Grid Environment” at Cracow Grid Worksop (CGW04).
• 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.
• OpenMolGRID demonstration at eChallenges 2004 in Vienna.
• First models for cytotoxity have been developed.
• Presentation “UNICORE Deployment - Experiences from Testbeds and Production” at Global Grid Forum 12.
• Distributed data transformations with CLI have been enabled in the MOLDW.
• Presentation “OpenMolGRID: Molecular Science and Engineering in a Grid Context” at International Conference on Parallel and Distributed Processing Techniques (PDPDA04), Las Vegas.
• The project review has been passed successfully
• 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).
• 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.
• Second stage of the OpenMolGRID testbed (link to testbed.gif) is fully functional.
• 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.
• Coordinating site changed from University of Tartu to Forschungszentrum Juelich.
• First OpenMolGRID results presented at the IST2003 Exhibition October 2-4, 2003, Milan, Italy.
• 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.
• First stage of the OpenMolGRID testbed with partners Juelich and Tartu functional.
• Web site launched
• Project kick-off meeting in Garching.