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AttributeError: 'NoneType' object has no attribute 'GetAtoms' with the drugs dataset #13

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pikmin5656 opened this issue Dec 2, 2024 · 1 comment

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@pikmin5656
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pikmin5656 commented Dec 2, 2024

Hi! Thank you for this great work!
While training your model on the drugs dataset, I got the following error after about 2% of the first epoch. I would be grateful if you could tell me how to solve the problem.

AttributeError: 'NoneType' object has no attribute 'GetAtoms'

Also, just before the error occurred, the following message was displayed:

Explicit valence for atom # 37 S, 5, is greater than permitted

By the way, the error did not occur with the QM9 dataset.
Thanks.

@shenoynikhil
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I haven't faced this issue. Seems like there was something wrong with the pre-processing of the dataset. Could you re-try the preprocessing step.

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