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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 2.

Hyperparameters for the three Nutmeg models.

Small Medium Large
Interaction layers 1 1 2
Width 256 512 512
Embedding width 128 128 128
Radial basis functions 64 64 64
Cutoff (nm) 1.0 1.0 1.0
Total parameters (millions) 1.7 4.6 7.1