Open ALLISWELL8 opened 2 weeks ago
Hi,
There is a bug in getting data samples for molecule datasets. We just fix it. Would you mind updating your version and using the following code to obtain text information for nodes in the molecule dataset:
bbbp = get_dataset("bbbp")
# node text
bbbp[0].x
# edge text
bbbp[0].edge_attr
Sorry for the inconvenience and please let me know if you still face any issues.
Best.
Thank you very much for your reply. I have another question, which is that when I obtained a dataset of Bace or other chemical types, I checked all the contents of the dataset and couldn't find the corresponding smiles format for the chemical molecules. Can you provide this? Thank you,
Sorry for the late reply. Currently, we don't provide smiles for molecule datasets. We will add it in the near future. Here I provide pointers to where we convert smiles to graph format: for molproperties, for other datasets.
Hope this could help!
Best.
Hello, how can I obtain text information for nodes such as BBBP and Bace datasets