SMILES augmentation is provided via the SMILESAugmenter object. After instantiation and configuration, the object itself can be called with a SMILES string or list of SMILES strings and will return a list of augmented SMILES strings. By default, the object will use atom order permutation , but full randomization is also available. The augmenter object can be deactivated by setting the .active property to False, and it will then pass through the SMILES strings unaltered. This makes it possible to switch off the augmentation if needed, for example during model evaluation or inference.