Closed xiehuanyi closed 1 year ago
Hi @xiehuanyi
the physical properties in the database need to be stored as np.array
instead of floats.
Propably changing this 'energy': d['energy']
to 'energy': np.array([d['energy'])
should solve your problem.
Let me know if this helps.
Best
Stefaan
I followed the tutoration here
https://schnetpack.readthedocs.io/en/stable/tutorials/tutorial_01_preparing_data.html
and my code are like thisbut when I tried to load it, I got this error, my code is here
and my packages versions are shown below