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SAScore added to DeepChem #2

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lilleswing opened this issue Mar 26, 2018 · 1 comment

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lilleswing commented Mar 26, 2018

This is a P.S. not a real issue.

deepchem/deepchem#1182 in case you want to look at the implementation.

It uses tf.losses.hingeloss instead of your shifted relu, which doesn't force differentiation space between a pair of molecules.

Owner

connorcoley commented Mar 27, 2018

Looks great, thanks for letting me know!

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