I carefully checked the dataset you provided in code repo recently.However I met some confusing things,. Why data/finetuning_set_smiles_plus_features.csv and AGILE_smiles_with_value_group.csv have different smiles but similar expt_hela, exit_raw? And why data/finetuning_set_smiles_plus_features.csv have some lines that share the same smiles while different labels/features?
I carefully checked the dataset you provided in code repo recently.However I met some confusing things,. Why data/finetuning_set_smiles_plus_features.csv and AGILE_smiles_with_value_group.csv have different smiles but similar expt_hela, exit_raw? And why data/finetuning_set_smiles_plus_features.csv have some lines that share the same smiles while different labels/features?