IS2RE-Total keeps raising `KeyError: 'decomposition'` in `OCPTrainer._forward` (fairchem_core-1.0.0).

[quark-wang]

What would you like to report?

Hi fairchem team,

I'm trying to run IS2RE-Total following the OC22 configs here:
https://github.com/facebookresearch/fairchem/tree/fairchem_core-1.0.0/configs/oc22

No matter what I do, training crashes with: for subtarget_key in self.output_targets[target_key]["decomposition"]:

KeyError: 'decomposition'
I would really appreciate a **minimal runnable example** (config + tiny LMDB + run command), or clarification on the exact intended setup.

[quark-wang]

Could you provide a complete workflow description or a manual for IS2RE-Total?
I don’t know how to use predict in the task.py file either.
Is it possible to use the model to directly predict the energy of a POSCAR file?

[zhimin-z]

This issue has been marked as stale because it has been open for 30 days with no activity.