Specific requirements and a prototype implementation of such functionality, named Workflow Kernel, are discussed.
The main contribution of this research effort is to propose a "kernel" locational system providing the essentials for distributed processing and to show the important role database technology may play in supporting such functionality of workflow management.
Being familiar with a particular research domain, researchers can identify the relevant sub-domains and define the functionality of workflow library of each sub-domain.
Since BALL enables explicit solvent molecular dynamics (MD) simulations and different docking scenarios, we additionally aim to integrate other functionality and workflows for therapeutic use, such as the analysis of drug target binding.
W4M is a fully open-source virtual research environment (VRE; Carusi and Reimer, 2010) built upon the Galaxy environment (Goecks et al., 2010) for bioinformatics developers and metabolomics users, with minimal wrapping burden of algorithms into modules, in addition to user-friendly functionalities for workflow management.
At the end of the workshop, participants will be better acquainted with essential functionalities and workflows and will feel more confident in exploring the software for their own goals.
Having the formal description of the atomic workflows and their functionality at the abstract workflow level we extended the data and meta-data structure of abstract workflows.
The machine learning module in Kepler allows users to integrate machine learning functionality into a workflow, even if the machine learning algorithms are implemented on different tools or platforms.
This article is written in the belief that an appropriate set of common workflow functionality can be abstracted and reused in forthcoming systems or embedded in applications intended to become workflow-enabled.
This paper describes the UrbanFlood EWS generic design and functionality, the computational workflow, the individual modules, their integration via the Common Information Space middleware, and the first results of EWS monitoring and performance benchmarks.
