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Description of crys_fea in model.py #23

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sgbaird opened this issue Jan 7, 2021 · 1 comment
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Description of crys_fea in model.py #23

sgbaird opened this issue Jan 7, 2021 · 1 comment

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@sgbaird
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sgbaird commented Jan 7, 2021

Hi,

What is crys_fea? I can't seem to find a description of it in the comments of model.py. Based on your suggestion in #21, it seems like this is the intermediate layer we're interested in. I assume it's the crystal feature vector. If that's the case, any help on what that actually means? Is there a place in the CGCNN paper that I should refer to?

Thank you,

Sterling

@mliu7051

@txie-93
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txie-93 commented Jan 8, 2021

crys_fea is the feature vector you get after pooling -- v_c in Eq. 2.

@sgbaird sgbaird closed this as completed Jan 8, 2021
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