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. Author manuscript; available in PMC: 2021 Feb 15.
Published in final edited form as: J Chem Theory Comput. 2020 Oct 23;16(11):7173–7183. doi: 10.1021/acs.jctc.0c00798

Table 3:

The comparisons of the success rate between the training set and test set

training set test set
RMSD top 1 top 3 top 10 top 1 top 3 top 10
< 1Å 20.0% 23.3% 36.7% 16.5% 28.5% 45.5%
< 2Å 50.0% 70.0% 86.7% 39.0% 56.5% 72.5%
< 3Å 63.3% 76.7% 90.0% 47.0% 68.5% 81.5%