abin

Can't kekulize mol.

6

 When I ran the code below（same as the demo in retrosynthesis tutorial） ```import torch from torchdrug import data, datasets, utils from torchdrug.utils import plot from torchdrug import core, models, tasks...

Missing of modules “src.data“

1

Thank you for your excellent work! When running the training codes, I found modules corresponding to `from src.data.retrobridge_dataset import RetroBridgeDatasetInfos, RetroBridgeDataset` are missed, could you offer the missing modules?

Question about reproduced results on USPTO-50k

1

Sorry for bothering you. I have reproduced your work several times, including using the pre-trained model you provided in https://github.com/igashov/RetroBridge/blob/main/configs/retrobridge.yaml as well as retraining the model with the best parameters...