On the EDGE On the EDGE

Free resources for user-friendly molecular docking experiments

MTA SZTAKI and the University of Westminster are proud to announce the opening of a public Molecular Docking Science Gateway. The gateway is freely accessible for bio-scientists and powered by the WS-PGRADE portal and the SZTAKI Desktop Grid technologies. Interested users can visit the gateway website and create an account for themselves at https://autodock-portal.sztaki.hu/.

The docking experiments are executed on the public EDGeS@home desktop grid that offers the computational power of nearly 20,000 volunteer computers. The gateway currently supports three molecular docking scenarios for virtual screening and random blind docking. No specific computing expertise is required to execute the docking experiments as the execution is supported by an intuitive high level user interface. Please visit the gateway website for further information.
The gateway was developed within the framework of the EDGI and SCI-BUS European projects.
Generic BOINC Application Client (GBAC) is released

EDGI is happy to announce that from now on desktop grid clients can be used as virtualized resources (like cloud resources) using VirtualBox technology. SZTAKI developed the Generic BOINC Application Client (GBAC) that enables to run practically any parameter sweep applications without porting into BOINC and without generating the various types of executable versions (like Windows, linux, etc.) of the application. This tremendously eases the use of BOINC DG for running parameter sweep applications. A BOINC DG can be considered as a volunteer cloud as written in the paper:

A. Marosi, J. Kovacs and P. Kacsuk: Towards a volunteer cloud system, Future Generation Computer Systems, on-line first: http://www.sciencedirect.com/science/article/pii/S0167739X12000660
BOINC can also be considered as generic pilot job execution system based on the GBAC solution. The GBAC application can be downloaded from sourceforge.
Tamas Kiss to present at Biobytes Workshop, a molecular modelling event for bio-scientists

In London, the Biobytes Workshop is taking place June 19-21, 2012. This workshop is a collaboration between the School of Life Sciences and the Centre for Parallel Computing at the University of Westminster. The programme features Tamas Kiss who is giving a presentation on "easy to use molecular docking solutions on grid and cloud computing resources". This presentation will introduce how bio-scientist researchers who are interested in running large scale molecular docking experiments can access various grid and cloud computing resources from user friendly interfaces. Pre-defined molecular docking scenarios including random docking and virtual screening experiments can be executed from convenient portal or desktop based interfaces. The simulations utilise either desktop computers coming from private or public desktop grids, or cloud computing resources based on Microsoft Azure technology. The presentation will be followed by live demonstrations and hands on tutorials where participants can try and experience the solutions themselves. The presented platforms have been developed in the framework of two collaborating European projects, EDGI and Venus-C. More information on the workshop is available at http://www.ngs.ac.uk/events/biobytes

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EDGI will develop middleware that consolidates the results achieved in the EDGeS project concerning the extension of Service Grids with Desktop Grids (DGs) in order to support European Grid Initiative (EGI) and National Grid Initiative user communities that are heavy users of Distributed Computing Infrastructures (DCIs) and require an extremely large number of CPUs and cores. EDGI will go beyond existing DCIs that are typically cluster Grids and supercomputer Grids, and will extend them with public and institutional Desktop Grids and Clouds. EDGI will integrate software components of ARC, gLite, Unicore, BOINC, XWHEP, 3G Bridge, and Cloud middleware such as OpenNebula and Eucalyptus into SG-DG-Cloud platforms for service provision and as a result EDGI will extend ARC, gLite and Unicore Grids with volunteer and institutional DG systems.

EDGI will develop DG-Cloud bridge middleware with the goal to get instantly available additional resources for DG systems if the application has some QoS requirements that could not be satisfied by the available resources of the DG system. EDGI will improve Desktop Grid middleware (BOINC and XtremWebHEP-E) in order to handle QoS requirements and the SG-DG bridge middleware in order to support data-intensive applications. EDGI will deploy a production infrastructure that integrates ARC-, gLite- and Unicore-based Grids with Desktop Grids based on the bridge middleware developed in EDGI.

The production EDGI infrastructure will also enable the dynamic, on-demand extensions of the connected Desktop Grids with Cloud resources. As such EDGI users can benefit of the versatile and flexible eco-system provided by EDGI. The EDGI production infrastructure will be offered as service for EGI and NGI user communities. It will also serve as a demonstration for NGIs to extend their eco-system with Desktop Grids and Clouds. EDGI will establish a European Desktop Grid federation to coordinate DG-related activities in Europe both for solving technical issues as well as to attract volunteer DG resource donors by disseminating results of the EDGI and EGI-related projects. The European Grid Federation and EDGI will work in strong collaboration with EGI, EMI, NorduGrid, Unicore Forum and interested NGIs.

International Desktop Grid Federation International Desktop Grid Federation

EDGI supports the http://desktopgridfederation.org/. The International Desktop Grid Federation brings together Desktop Grid operators, developers, organisations and companies working with Desktop Grids and intergration with other infrastructures through EDGeS Bridge Technology.

About EDGI About EDGI

EDGI is a project managed by the EDGI consortium.

EDGI is supported by the FP7 Capacities Programme under grant agreement nr RI-261556.


© EDGI Website and EDGI: EDGI Consortium 2010 - 2011 - 2012.