RetroBridge

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Generating SMILES without Chirality Information

5

I'd like to express my gratitude for your outstanding work on this project. It has been incredibly helpful in my research. However, I noticed that the generated SMILES strings do...

Jesse-zjx

parameter recommendations

1

Dear Author, I am very interested in your work! I am trying to replicate the results mentioned in this paper. Could you please confirm if the parameters provided in the...

anjie-qiao

TypeError: on_validation_epoch_end() missing 1 required positional argument: 'outs'

2

Dear Author, I sincerely appreciate your great work! Could you please check the following error, when I run the training code? Please note that pytorch_lightning version installed is 2.2.0, as...

kskim-phd

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?

YifaSuoha962

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...

YifaSuoha962