Table 3 Parameter values used in the grid search
From: COVER: conformational oversampling as data augmentation for molecules
Parameter | Values |
|---|---|
Learning rate | [0.01,0.1,1] |
Hidden units | [256,512,1024,2048,4096] |
Dropout input | [0,0.2] |
Dropout hidden | [0.2,0.5] |
Number of layers | [2,3,4] |