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May 3, 2024npj Computational MaterialsOpen Access

Active learning graph neural networks for partial charge prediction of metal-organic frameworks via dropout Monte Carlo

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Authors

STStephan ThalerFMFelix MayrSTSiby Thomas

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Thaler et al. (2024) studied this question.

synapsesocial.com/papers/68e6b93cb6db64358763a648https://doi.org/10.1038/s41524-024-01277-8
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