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Running the retrosynthesis tutorial, the following error occurred
import torchdrug print(torchdrug.__version__)
0.1.0
from torchdrug import datasets reaction_dataset = datasets.USPTO50k("~/Projects/drugs/molecule-datasets/", node_feature="center_identification", kekulize=True) synthon_dataset = datasets.USPTO50k("~/Projects/drugs/molecule-datasets/", as_synthon=True, node_feature="synthon_completion", kekulize=True) from torchdrug.utils import plot for i in range(2): sample = reaction_dataset[i] reactant, product = sample["graph"] reactants = reactant.connected_components()[0] products = product.connected_components()[0] plot.reaction(reactants, products)
AttributeError: 'USPTO50k' object has no attribute 'lazy' --------------------------------------------------------------------------- AttributeError Traceback (most recent call last) /var/folders/zq/yt7gftfj7_x_11psy591dtz00000gn/T/ipykernel_6673/2093549361.py in <module> 2 3 for i in range(2): ----> 4 sample = reaction_dataset[i] 5 reactant, product = sample["graph"] 6 reactants = reactant.connected_components()[0] ~/opt/anaconda3/envs/drugs/lib/python3.8/site-packages/torchdrug/data/dataset.py in __getitem__(self, index) 138 def __getitem__(self, index): 139 if isinstance(index, int): --> 140 return self.get_item(index) 141 142 index = self._standarize_index(index, len(self)) ~/opt/anaconda3/envs/drugs/lib/python3.8/site-packages/torchdrug/data/dataset.py in get_item(self, index) 127 128 def get_item(self, index): --> 129 if self.lazy: 130 item = {"graph": data.Molecule.from_smiles(self.smiles_list[index], **self.kwargs)} 131 else: AttributeError: 'USPTO50k' object has no attribute 'lazy'
The text was updated successfully, but these errors were encountered:
Hi! This has already been fixed in #24. Please clone the latest repo and it should be fine.
We will update the conda package soon.
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Conda updated.
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Running the retrosynthesis tutorial, the following error occurred
0.1.0
The text was updated successfully, but these errors were encountered: