training set and test set
Belter Xin · Figshare · 2020
s3-1_x_training_set.csv- separator: tab - CID, mol_path (skeleton), fragment_cluster, fragment_cluster_smiles s3-2_x_train_mol_sentence.csv- separator: space- fragment_cluster_smiles s3-3_x_test_set.csv- separator: tab - CID, mol_path (skeleton), fragment_cluster, fragment_cluster_smiles s3-4_x_test_mol_sentence.csv- separator: space- fragment_cluster_smiles