UnifiedMolPretrain

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Error regarding loss.backward() when enabling ddp

1

We face the following problem when enabling the DDP. The environment is set up by following Dockerfile.  Thank you for your reply.

YHPeter

Bad Input File

4

It shows no input files, but in the **"qcqm4m-v2"** dataset, it doesn't consist of the **"qcqm4m-v2_xyz"**, could you tell me how to get these missing files? 

drunkprogrammer

Hi! thanks for sharing your work! I noticed that "num_graphs"doesn't exit (batch.num_graphs) there is no num_graphs in dataset.py could you please provide complete code or explain why? thanks:)

Neo-Flash

Hi, Could you provide your saved pre-trained model so that I can apply the model to other datasets quickly? Thank you

ZhaoningYu1996

In the paper, you describe the process to take 2D information for 3D conformation generation, however, the codebase does not have any examples on how to generate this. Could you...

sacombs