DawnJYe

> valid Thank you for your response. If I create a selfies dictionary using my own smiles, will any combination still be valid? I tried using a custom dictionary to...

Do you mean that after passing selfies through a decoder, the resulting smiles may be an empty string? If so, then I think I'm encountering that situation. The error message...

> They should still be valid. If not, i guess there is a problem somewhere. Can you share cases which fail? (Note: We regard an empty string as valid, maybe...

> There is no direct way, what you can do: translate to SMILES and then translate with our tools to SELFIES. I hope this helps. It seems that it can...

> Hello, we tried to solve the issue. > > This is what we did: > > Modify the Graphormer3D model to use gradient checkpointing and reduce batch size to...