Open-Source and FAIR Research Software for Proteomics

Lukas Käll 1 | Yasset Perez-Riverol 2 | Wout Bittremieux 3 | William S. Noble 4 | Lennart Martens 5 | Aivett Bilbao 6 | Michael R. Lazear 7 | Bjorn Grüning 8 | Daniel S. Katz 9 | Michael J. MacCoss 4 | Chengxin Dai 10 | Jimmy K. Eng 11 | Robbin Bouwmeester 12 | Michael R. Shortreed 13 | Enrique Audain 14 | Timo Sachsenberg 15 | Jeroen Van Goey | Georg Wallmann 16 | Bo Wen 4 | William E. Fondrie 17

1 KTH Royal Institute of technology | 2 European Molecular Biology Laboratory (EMBL), European Bioinformatics Institute (EBI) | 3 University of Antwerp | 4 Department of Genome Sciences, University of Washington | 5 VIB-UGent Center for Medical Biotechnology, VIB | 6 Pacific Northwest National Laboratory (PNNL), Environmental Molecular Sciences Laboratory (EMSL) | 7 Belharra Therapeutics | 8 Bioinformatics Group, Albert-Ludwigs University Freiburg | 9 University of Illinois Urbana Champaign | 10 Beijing Proteome Research Center | 11 Proteomics Resource, University of Washington | 12 VIB—UGent Center for Medical Biotechnology | 13 University of Wisconsin Madison | 14 Institute of Medical Genetics, University Medicine Oldenburg | 15 University of Tübingen | 16 Max Planck Institute of Biochemistry | 17 Talus Bioscience

Published

ABSTRACT

Scientific discovery relies on innovative software as much as experimental methods, especially in proteomics, where computational tools are essential for mass spectrometer setup, data analysis, and interpretation. Since the introduction of SEQUEST, proteomics software has grown into a complex ecosystem of algorithms, predictive models, and workflows, but the field faces challenges, including the increasing complexity of mass spectrometry data, limited reproducibility due to proprietary software, and difficulties integrating with other omics disciplines. Closed-source, platform-specific tools exacerbate these issues by restricting innovation, creating inefficiencies, and imposing hidden costs on the community. Open-source software (OSS), aligned with the FAIR Principles (Findable, Accessible, Interoperable, Reusable), offers a solution by promoting transparency, reproducibility, and community-driven development, which fosters collaboration and continuous improvement. In this manuscript, we explore the role of OSS in computational proteomics, its alignment with FAIR principles, and its potential to address challenges related to licensing, distribution, and standardization. Drawing on lessons from other omics fields, we present a vision for a future where OSS and FAIR principles underpin a transparent, accessible, and innovative proteomics community.

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