DeepAI AI Chat
Log In Sign Up

Evaluation of tools for describing, reproducing and reusing scientific workflows

by   Philipp Diercks, et al.

In the field of computational science and engineering, workflows often entail the application of various software, for instance, for simulation or pre- and postprocessing. Typically, these components have to be combined in arbitrarily complex workflows to address a specific research question. In order for peer researchers to understand, reproduce and (re)use the findings of a scientific publication, several challenges have to be addressed. For instance, the employed workflow has to be automated and information on all used software must be available for a reproduction of the results. Moreover, the results must be traceable and the workflow documented and readable to allow for external verification and greater trust. In this paper, existing workflow management systems (WfMSs) are discussed regarding their suitability for describing, reproducing and reusing scientific workflows. To this end, a set of general requirements for WfMSswere deduced from user stories that we deem relevant in the domain of computational science and engineering. On the basis of an exemplary workflow implementation, publicly hosted at GitHub (https://, a selection of different WfMSs is compared with respect to these requirements, to support fellow scientists in identifying the WfMSs that best suit their requirements.


A Research Software Engineering Workflow for Computational Science and Engineering

University research groups in Computational Science and Engineering (CSE...

Building Domain-Specific Machine Learning Workflows: A Conceptual Framework for the State-of-the-Practice

Domain experts are increasingly employing machine learning to solve thei...

Reusability Challenges of Scientific Workflows: A Case Study for Galaxy

Scientific workflow has become essential in software engineering because...

You Only Write Thrice: Creating Documents, Computational Notebooks and Presentations From a Single Source

Academic trade requires juggling multiple variants of the same content p...

MaRe: Container-Based Parallel Computing with Data Locality

Application containers are emerging as key components in scientific proc...

Toward Common Components for Open Workflow Systems

The role of scalable high-performance workflows and flexible workflow ma...

Custom Execution Environments with Containers in Pegasus-enabled Scientific Workflows

Science reproducibility is a cornerstone feature in scientific workflows...