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qm9.npz #2

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cahsmann opened this issue Jun 3, 2021 · 1 comment

cahsmann commented Jun 3, 2021

I saw that this was ran with qm9, do you know how they were able to get a qm9.npz file that works with the model?

Member

LIVazquezS commented Oct 12, 2022

Hi,

If you want to obtain the .npz file. You have to create an array from the .xyz files. An example on how to do it can be found at:

https://github.com/LIVazquezS/PhysNet_DER/blob/master/gen_npz.py

Regards,

L

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