Smart distributed data factory volunteer computing platform for active learning-driven molecular data acquisition
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DOI: 10.1038/s41598-025-90981-6
Abstract: This paper presents the smart distributed data factory (SDDF), an AI-driven distributed computing platform designed to address challenges in drug discovery by creating comprehensive datasets of molecular conformations and their properties. SDDF uses volunteer computing,… read more here.
Keywords: chemistry; smart distributed; computing platform; active learning ... See more keywords
Volunteer computing for computational materials design
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DOI: 10.1134/s1995080217050195
Abstract: The problem of crystal structure prediction is very old and does, in fact, constitute the central problem of theoretical crystal chemistry. In this paper, we discuss the popular USPEX evolutionary algorithm for crystal structure prediction.… read more here.
Keywords: materials design; computing computational; chemistry; volunteer computing ... See more keywords
DENIS: Solving cardiac electrophysiological simulations with volunteer computing
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DOI: 10.1371/journal.pone.0205568
Abstract: Cardiac electrophysiological simulations are computationally intensive tasks. The growing complexity of cardiac models, together with the increasing use of large ensembles of models (known as populations of models), make extensive simulation studies unfeasible for regular… read more here.
Keywords: cardiac electrophysiological; volunteer computing; denis; simulation ... See more keywords