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ask for the generation of processed.pkl in the geomGCL #268

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Yanara-Tian opened this issue Sep 25, 2023 · 1 comment
Open

ask for the generation of processed.pkl in the geomGCL #268

Yanara-Tian opened this issue Sep 25, 2023 · 1 comment

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@Yanara-Tian
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excuse me, when i am running the train_gcl.py, there is a problem about no esol_processed.pkl file? but i find there is no way to generate the file by using dataset.py or dataloader.py.So, I want to konw how to generate the esol_processed.pkl file.
thank you very much!
@agave233
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Hi, you can obtain the preprocess file here: https://github.com/agave233/GeomGCL/blob/master/preprocess.py

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@agave233 @Yanara-Tian