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Table 2 Hyperparameter combinations used in the grid search

From: Randomized SMILES strings improve the quality of molecular generative models

Model l w d b RNN
GDB-13 1M 3 512 0, 25, 50 64, 128, 256, 512 GRU, LSTM
GDB-13 10K 2, 3, 4 256, 384, 512 0, 25, 50 8, 16, 32 LSTM
GDB-13 1K 2, 3, 4 128, 192, 256 0, 25, 50 4, 8, 16 LSTM
ChEMBL 3 512 0, 25, 50 64, 128, 256, 512 LSTM
  1. Number of layers (l), dimensions of the RNN layers (w), dropout rate % (d), batch size (b), RNN cell type (RNN)