diff --git a/auglichem/molecule/data/_molecule_dataset.py b/auglichem/molecule/data/_molecule_dataset.py index ab21874..004d8d1 100644 --- a/auglichem/molecule/data/_molecule_dataset.py +++ b/auglichem/molecule/data/_molecule_dataset.py @@ -76,6 +76,8 @@ def __init__(self, dataset, data_path=None, transform=None, smiles_data=None, la transform = Compose(transform) elif(not(isinstance(transform, Compose)) and (transform is not None)): transform = Compose([transform]) + elif(transform is None): + transform = Compose([]) self.transform = transform if(smiles_data is None): @@ -134,7 +136,7 @@ def __init__(self, dataset, data_path=None, transform=None, smiles_data=None, la def _handle_motifs(self): # MotifRemoval adds multiple new SMILES strings to our data, and must be done # upon training set initialization - if(not self.test_mode): + if(self._training_set): if(self._train_warn): # Catches if not set through get_data_loaders() raise ValueError( "_training_set is for internal use only. " + \