Smart distributed data factory volunteer computing platform for active learning-driven molecular data acquisition

Smart distributed data factory volunteer computing platform for active learning-driven molecular data acquisition

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, leveraging the proce...

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Bibliographic Details
Main Authors: Tsolak Ghukasyan, Vahagn Altunyan, Aram Bughdaryan, Tigran Aghajanyan, Khachik Smbatyan, Garegin A. Papoian, Garik Petrosyan
Format: Article
Language:English
Published: Nature Portfolio 2025-02-01
Series:Scientific Reports
Subjects:
Volunteer computing
Active learning
Conformational energy
Machine learning
Graph neural networks
Online Access:https://doi.org/10.1038/s41598-025-90981-6
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https://doi.org/10.1038/s41598-025-90981-6

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