Provision of mechanisms to automatise workflows from molecular science and
engineering, for example the development of QSAR models.
- the different data formats and types
- incompatible formats of output data sets of one step and input data sets of the successor step
- compute intensive tasks
- definition of abstract application and data interfaces
- provision of appropriate data transformation methods
- distribution of data parallel tasks onto available resources
- workflow support within the UNICORE Client.
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