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Regression code missing #8

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SeanTBlack opened this issue Feb 16, 2024 · 1 comment
Open

Regression code missing #8

SeanTBlack opened this issue Feb 16, 2024 · 1 comment

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@SeanTBlack
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Hi, I am really interested in your method. I am attempting to apply it to some chemical data of my own.

In your paper, you mentioned that you used this method on regression problems for the ESOL and FreeSolv datasets. Do you have the code for that posted somewhere? There are multiple places in your repository that assume a classification problem.

Thank you!

@mokosaur
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Hi, to adapt the code for the regression problems, I believe you only need to remove log_softmax in line 45 of architectures.py and set out_dim to 1, and replace the loss function in line 71 of train_models.py to F.mse_loss.

If I find time next week, I'll test this code and update the repo.

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