MaRDIFlow (Q6534229)

## MaRDIFlow : Design and Description of FAIR CSE Workflows \N \NThis computational framework abstracts multi-layered components from FAIR computational experiments through an input/output pipeline. By incorporating them into redundant descriptions, we describe arbitrary levels of abstraction ranging from mere I/O data to mathematical models. \N \NA recent publication describing the tool can be found at https://arxiv.org/abs/2405.00028 \N \N### Key Features \N**Comprehensive Workflow Framework:** Enables the abstraction of computational components to describe FAIR workflows. \N \N**Multi-Layered Component Support:** Ensures the integration of various layers such as numerical methods, mathematical models, and I/O data.\N \N**Output Formats:** Supports HTML, PDF, TeX, and Jupyter Notebook outputs for enforced documentation and reporting.\N \N### **What does it do?** \NMaRDIFlow provides a structured environment for designing, executing, and documenting FAIR CSE workflows.It captures metadata and dependencies automatically, ensuring that computational experiments are reusable, reproducible, and well-documented across varying computational setups.\N### How can it be used?\NUsing this working prototype (two use-cases), users can execute the workflow through a user-friendly command-line interface, enabling interaction with the framework's features. Users can : \N \N1. Define workflow components, inputs, and outputs using structured metadata descriptions. \N \N2. Execute workflows while automatically capturing provenance information.\N \N3. Generate detailed reports and provenance documentation in chosen output formats (HTML, PDF, or TeX). \N \NFurther installation and documentation details can be found in : https://zenodo.org/records/7863520. \N### Publications\N \NPavan L. Veluvali, Jan Heiland, Peter Benner, "Bridging Ontologies and Computational Workflows: A Framework for Semantic Enrichment and Reproducibility", 2nd Conference on Research Data Infrastructure (CoRDI) 2025. \N \NPavan L. Veluvali, Jan Heiland, Peter Benner, "MaRDIFlow: A CSE workflow framework for abstracting meta-data from FAIR computational experiments", e-print arXiv:2405.00028, arXiv, 2024.