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. Author manuscript; available in PMC: 2025 Jan 22.
Published in final edited form as: J Chem Theory Comput. 2024 Sep 25;20(19):8583–8593. doi: 10.1021/acs.jctc.4c00794

Table 4.

Absolute errors in kJ/mol on the test set.

Small Medium Large
Small Ligands Mean 7.32 6.87 6.52
Median 3.20 2.81 2.56
Large Ligands Mean 8.17 7.68 6.70
Median 4.48 4.44 3.35
Peptides Mean 14.77 13.32 12.14
Median 7.94 5.82 4.80
Dimers Mean 11.82 11.86 11.36
Median 2.24 2.12 1.77