A simple kit to use computational notebooks for more openness, reproducibility, and productivity in research

Ludmilla Figueiredo*, Cédric Scherer, Juliano Sarmento Cabral

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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Abstract

The ubiquitous use of computational work for data generation, processing, and modeling increased the importance of digital documentation in improving research quality and impact. Computational notebooks are files that contain descriptive text, as well as code and its outputs, in a single, dynamic, and visually appealing file that is easier to understand by nonspecialists. Traditionally used by data scientists when producing reports and informing decision-making, the use of this tool in research publication is not common, despite its potential to increase research impact and quality. For a single study, the content of such documentation partially overlaps with that of classical lab notebooks and that of the scientific manuscript reporting the study. Therefore, to minimize the amount of work required to manage all the files related to these contents and optimize their production, we present a starter kit to facilitate the implementation of computational notebooks in the research process, including publication. The kit contains the template of a computational notebook integrated into a research project that employs R, Python, or Julia. Using examples of ecological studies, we show how computational notebooks also foster the implementation of principles of Open Science, such as reproducibility and traceability. The kit is designed for beginners, but at the end we present practices that can be gradually implemented to develop a fully digital research workflow. Our hope is that such minimalist yet effective starter kit will encourage researchers to adopt this practice in their workflow, regardless of their computational background.

Original languageEnglish
Article number e1010356
Number of pages12
JournalPLoS Computational Biology
Volume18
Issue number9
DOIs
Publication statusPublished - 15 Sept 2022

Bibliographical note

Publisher Copyright:
Copyright: © 2022 Figueiredo et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Keywords

  • People and places
  • Research and analysis methods
  • Science policy
  • Education
  • Social sciences
  • Engineering and technology
  • Biology and life sciences
  • Computer and information sciences

ASJC Scopus subject areas

  • Genetics
  • Ecology, Evolution, Behavior and Systematics
  • Cellular and Molecular Neuroscience
  • Molecular Biology
  • Ecology
  • Computational Theory and Mathematics
  • Modelling and Simulation

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