qm9.npz

[cahsmann]

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?

[Luis Itza Vazquez-Salazar]

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