Motivation: Web-based access to computational chemistry grid resources has proven to be a viable approach to simplify the use of simulation codes. The introduction of recipes allows to reuse already developed chemical workflows. By this means, workflows for recurring basic compute jobs can be provided for daily services. Nevertheless, the same platform has to be open for active workflow development by experienced users. This paper provides an overview of recent developments of the MoSGrid project on providing tools and instruments for building workflow recipes.
|Title of host publication||Proceedings of the Grid Workflow Workshop 2011|
|Editors||Klaus-Dieter Warzecha, Lars Packschies|
|Number of pages||6|
|Publication status||Published - 2011|
|Series||CEUR Workshop Proceedings|
|Title||Grid Workflow Workshop 2011, GWW 2011|
|Duration||4 March 2011|