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Better together: Elements of successful scientific software development in a distributed collaborative community.

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Scientific software development thrives through community collaboration. Practices in version control, testing, and community building, as seen with the Rosetta software suite, ensure sustainability and maintainability in computational research.

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Area of Science:

  • Computational biology
  • Scientific software engineering
  • Macromolecular modeling

Background:

  • Scientific disciplines increasingly rely on computational tools for research.
  • Academic researchers often develop software without formal software engineering training, impacting tool sustainability.
  • The Rosetta software suite is a large-scale example of scientific software developed in an academic setting.

Purpose of the Study:

  • To use the Rosetta software and its community as a case study for successful scientific software development.
  • To demonstrate how modern software development principles can be applied effectively in academic environments.
  • To illustrate transferable practices for building sustainable and maintainable scientific software in distributed communities.

Main Methods:

  • Analysis of the RosettaCommons community's development practices over two decades.
  • Examination of technical aspects including version control, testing, and maintenance.
  • Review of community-building strategies, diversity initiatives, software dissemination, and user support.

Main Results:

  • Rosetta has been successfully developed and maintained by a global community of over 60 institutions.
  • Effective technical practices and community engagement strategies have ensured the software's longevity and widespread use.
  • The development model demonstrates the viability of collaborative, distributed scientific software creation.

Conclusions:

  • Modern computational research can flourish within distributed, collaborative communities.
  • The practices employed by the RosettaCommons are adaptable to other scientific software development efforts.
  • Adopting these principles can enhance the sustainability and maintainability of academic software tools.