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. 2021 Jan 4;12:88. doi: 10.1038/s41467-020-20342-6

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© The Author(s) 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 5 — a t-SNE plot of DOS features obtained from the last convolutional layer of DOSnet for the case of hydrogen adsorption. Points represent unique surface sites and are colored by the adsorption energy of that site. Selected DOS from these sites are plotted. b Plot of d-band center versus hydrogen adsorption energy. c Plot of the first component of the DOS features from a principal component analysis versus hydrogen adsorption energy.