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Can this model be applied to predicting affinity value? #5

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agave233 opened this issue Aug 4, 2020 · 0 comments
Open

Can this model be applied to predicting affinity value? #5

agave233 opened this issue Aug 4, 2020 · 0 comments

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@agave233
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agave233 commented Aug 4, 2020

Hi,
Thanks for your solid work!

I noticed that this model can predict whether the input protein-ligand is active or not, which belongs to a binary classification task. However, I wonder GNN-DTI can be used for regression tasks? Can this model predict the binding affinity values well?

Thanks

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