Question about tensorboard scores #83
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Horizon371
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Hi, the transformed score takes the duplicates into account and so will be smaller than the raw scores. You are producing quite a bit of duplicatres, in fact, the number is increasing over your run. You also have a scaffold filter which does 2 things: 1) score compounds as zero as soon as its scaffold has been found more than N times,, 2) score every SMILES that is found at least a second time as zero. It follows that the total score can behave quite differently from the single component score. Hope that helps, |
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Corrections: the transformed score is a product (logical and) of the raw score, the invalid and the duplicate mask. |
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Hello,
I am running reinvent with only one scoring component and Scaffold DF. I have a couple of questions regarding the tensorboard output.
Best regards,
Cristian
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