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Virtual Screening (VS) is a large-scale parallel Bag-of-Tasks application whose tasks are independent with no data dependency and communication. Grid computing facilitates VS by providing shared computational resources across different international institutions. However, the traditional grid middle wares do not provide mechanism of task decomposition, and users usually need to decompose the large-scale...
More and more chemists carry out scientific research using computation. In this process, computational chemistry software has played a very important role. Among these computational chemistry software, Gaussian is very prominent. The most essential user interface of Gaussian is scripting language, but software-oriented scripting language is a great burden to chemists. Meanwhile, chemists are increasingly...
The paper contributes a solution for creating and editing mathematical formula, graphics and geometry object for Web-based application of e-Science. The solution includes two useful program packages: MathEdit, a Web-based WYSIWYG mathematical expression editor, and GeometryEditor, a Web-based interactive tool for drawing geometry graphics. The two Web-based tools, both developed by JavaScript and...
Scientific workflows are becoming increasingly important as a mechanism for orchestrating distributed resources such as computational devices, data, applications, and scientific instruments on the grid environment. BPEL is generally accepted as a de-facto standard for web-services composition. However, the lack of generic graphical interfaces that abstract the technical details for domain scientists...
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