hao qian

The error occured before the script executing line 124. It appears there may be an issue with the graph_construction_model. Removing the SpatialEdge and KNNEdge classes from the train.yaml file resolves...

Hi @zytzrh ,I've reviewed the source code of TorchDrug and noticed an issue related to the computation of the **explicit_valence** property. This can be found in the TorchDrug repository here:...

**Thank you very much for providing the original peptide files!** Upon careful review, I've encountered several issues: - **Validity Evaluation Code Bug:** The code used to evaluate validity contains a...

Could you please provide any updates on the resolution of these issues or any new findings that have emerged? Your prompt response will be greatly appreciated as it will help...