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About Centering #5

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robbenplus opened this issue Nov 21, 2024 · 0 comments
Open

About Centering #5

robbenplus opened this issue Nov 21, 2024 · 0 comments

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@robbenplus
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I noticed that the authors use the peptide's center for centering (in the preprocess_structure function). Did you apply this method to the test set as well, or did you use other centering methods to avoid data leakage?
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@robbenplus