Software engineering for reproducible pipeline development in bioinformatics.

IF 3.6 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY
Frontiers in bioinformatics Pub Date : 2026-09-03 eCollection Date: 2026-01-01 DOI:10.3389/fbinf.2026.1824590
Daniel Pérez-Rodríguez, Alba Nogueira-Rodríguez, Jorge Vieira, Cristina P Vieira, Daniel Glez-Peña, Hugo López-Fernández
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引用次数: 0

Abstract

Reproducibility in bioinformatics remains challenging despite the availability of workflow management systems and mature computational infrastructures. This work presents a software-engineering perspective for developing reproducible bioinformatics pipelines, with emphasis on pipeline-specific code. We reinterpret the SOLID principles in this context at two levels: workflow management systems (e.g., Nextflow, Snakemake, and Compi) and pipeline implementation. Our approach promotes pipeline designs based on well-defined task interfaces, explicit input/output specifications, and a clear separation between compute tasks and glue/adaptation tasks, in order to improve flexibility, reuse, and maintainability. The paper provides practical guidance for robust and reproducible pipeline development, including systematic validation checks (environment, inputs, and runtime), standardized project organization, and comprehensive testing strategies using both real and synthetic data within continuous integration workflows. It also discusses how modular ecosystems (such as nf-core modules and Snakemake wrappers) support these principles in community-driven environments. Finally, we relate these recommendations to FAIR-oriented research software guidelines (FAIR4RS and FAIRsoft), showing how core engineering practices strengthen robustness, portability, and long-term sustainability, thereby supporting reproducibility in bioinformatics pipelines.

生物信息学中可再生管道开发的软件工程。
尽管有工作流管理系统和成熟的计算基础设施,但生物信息学的可重复性仍然具有挑战性。这项工作提出了开发可复制的生物信息学管道的软件工程观点,重点是管道特定的代码。我们在两个层面上重新解释SOLID原则:工作流管理系统(例如,Nextflow, Snakemake和Compi)和管道实现。我们的方法促进了基于定义良好的任务接口、明确的输入/输出规范以及计算任务和粘合/适应任务之间的明确分离的管道设计,以提高灵活性、重用性和可维护性。本文为健壮的和可重复的管道开发提供了实用的指导,包括系统的验证检查(环境、输入和运行时)、标准化的项目组织,以及在持续集成工作流中使用真实和合成数据的综合测试策略。它还讨论了模块化生态系统(如非核心模块和Snakemake包装器)如何在社区驱动的环境中支持这些原则。最后,我们将这些建议与面向fair的研究软件指南(FAIR4RS和FAIRsoft)联系起来,展示了核心工程实践如何增强健壮性、可移植性和长期可持续性,从而支持生物信息学管道的可重复性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
2.60
自引率
0.00%
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0
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