Chemomentum
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Grid computing technologies are starting to realize their large potential to provide innovative infrastructures for complex scientific and industrial applications. To make Grids more useful for knowledge-oriented applications such as decision support systems and risk assessment, more effort in the areas of semantics, metadata and knowledge management in distributed, heterogeneous environments are needed.
Chemomentum is a European Grid research project that aims to fill these gaps. by taking up and enhancing state-of-the-art UNICORE Grid technologies and applying them to real-world challenges in computational chemistry and related application areas. It will help drive the transformation of computing paradigms in these areas towards collaborative research and Grid computing.
The Chemomentum project will:
- Provide an integrated Grid solution for workflow-centric, complex applications with a focus on data management and knowledge. Place the end users into the focus, enabling them to use powerful tools in a natural and transparent fashion;
- Provide Grid-enabled applications, data services and knowledge management solutions, offering integrated decision support services for risk assessment, toxicity prediction and drug design;
- Setup and operate a stable pilot installation, accessible for external users. Proactively gather and evaluate feedback from these users. Simplify administration and management of the Grid;
- Test-drive the developed services in the context of the European regulatory initiative Registration, Evaluation and Authorisation of Chemicals(REACH), promoting the REACH initiative aimed at reducing animal testing, by developing in silico, Grid-based tools.
