SMILES_state

[Khanhnguyen2027]

Hi everyone, quick question: after generating molecules from my seed input, I see SMILES_state values 0 (invalid) and 1 (valid). What does SMILES_state = 2 mean in practice—should I keep or drop those rows?

[halx]

These are batch duplicates. In practive you would probably want to drop all duplicates on a global level.