How to do a analysis of model?

[jtyang-chem]

How to do an analysis of models after training?

• I want to know which atomic energy contributes more to the total energy in some structures, but all parameters or middle results are wrapped in *.pb file, how to get them?
• Or, could I unwrap all the parameters? Is there any example or tutorial that I can follow?

[njzjz]

A python method is provided here. You can get atomic energies by setting atomic to True.

To unwrap parameters, see #1271 (reply in thread).