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. 2020 Feb 18;7:58. doi: 10.1038/s41597-020-0385-y

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© The Author(s) 2020

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Fig. 2 — Schematic overview of the three datasets and the applied computational methods. The 31 k set includes all structures from the 5 k set and the 62 k all structures from the 31 k and 5 k sets.