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. 2021 Dec 7;6(50):34823–34831. doi: 10.1021/acsomega.1c05440

Table 2. Performances of DeepKa With Different Orientation Counts (OCs) and Sizes of Cropped Cubic Boxes.

OC size (Å) MAE RMSD R m
24 18 0.85 1.11 0.65 0.41
24 20 0.81 1.05 0.69 0.42
24 22 0.82 1.08 0.66 0.41
20 20 0.81 1.09 0.69 0.36
4 20 0.92 1.20 0.58 0.29
1 20 0.92 1.26 0.51 0.20