Error when running the molecule generation tutorialSee original GitHub issue
When following the molecule generation tutorial in https://torchdrug.ai/docs/tutorials/generation.html, I got the following error when running the following code to generate with the pretrained GCPN
results = task.generate(num_sample=32, max_resample=5).
Here is the error message:
***/torchdrug/data/graph.py", line 1171, in _check_attribute raise ValueError("Expect node attribute %s
to have shape (%d, *), but found %s" % ValueError: Expect node attributeatom_feature
to have shape (64, *), but found torch.Size([32, 18])
Could you kindly check and provide any help?
- Created a year ago
- Comments:6 (2 by maintainers)
Top GitHub Comments
I’m experiencing the same issue. I also tried to downgrade to Torch 1.9.0 but the issue is still occurring. Any suggestion on how to fix it? Thank you!
I was able to run it by downgrading TorchDrug to v0.1.2, but I didn’t have enough time to find out what is the exact issue for v0.1.3. Hope this is helpful!
I believe that this issue should be fixed on current master