WHY
WHY
> I see, it needs to process the original files. Hi, could you teach me how to get the .sdf files? I have the same question with yours. orz
I change the forward process, and pass in the batch, xyz and atom type. We can find the result is different between to same structures.
Any one could help me?
Hello, anyone know the answer about https://github.com/bp-kelley/descriptastorus/issues/31 ?
If you don't have the pre-trained model, could you describe how to get the data `dataset/zinc_standard_agent/raw` when running `python pretrain_joao.py --gamma 0.01 `
Thank you for your reply, but i am a new fish for this area, could you update the checkpoint of the paper? @v@ Thank you very much!