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Better together: Elements of successful scientific software development in a distributed collaborative community
Julia Koehler Leman1,2, Brian D Weitzner3,4,5,6, P Douglas Renfrew1
1Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, United States of America.
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.
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.
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