Abstract
In this paper, we describe the experience of setting up a computational infrastructure based on BOINC middleware and running a volunteer computing project on its basis. We characterize the first series of computational experiments and review the project’s development in its first six months. The gathered experience shows that BOINC-based Desktop Grids allow to efficiently aid drug discovery at its early stages.
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Acknowledgements
The first initial library (one billion of compounds) was prepared with the generous help of Microsoft that donated computational resources in the Azure cloud platform [28]. We all from COVID.SI are grateful and looking forward to future collaborations.
We would like to thank all volunteers who provide their computers to the project. Discussions and advice on the project forum are greatly appreciated.
Funding
This work was partly supported by the Scholarship of the President of the Russian Federation for young scientists and graduate students (project “Game-theoretical mathematical models and algorithms for scheduling in high-performance heterogeneous computational systems”), the Slovenian Ministry of Science and Education infrastructure, project grant HPC-RIVR, and by the Slovenian Research Agency (ARRS), programme P2-0046 and J1-2471, the Physical Chemistry programme grant P1-0201; Slovenian Ministry of Education, Science and Sports programme grant OP20.04342.
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Nikitina, N., Manzyuk, M., Jukić, M., Podlipnik, Č., Kurochkin, I., Albertian, A. (2021). Toward Crowdsourced Drug Discovery: Start-Up of the Volunteer Computing Project SiDock@home. In: Voevodin, V., Sobolev, S. (eds) Supercomputing. RuSCDays 2021. Communications in Computer and Information Science, vol 1510. Springer, Cham. https://doi.org/10.1007/978-3-030-92864-3_39
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DOI: https://doi.org/10.1007/978-3-030-92864-3_39
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