Utilizing ACE information

[Jacobluke-]

Dear @adamoyoung , thanks for the work. It's wonderful.

I'm writing to raise a question for your code. In line 448 of src/massformer/dataset.py, why does spec_meta_list contain two col_energy_meta? Is it possible to input both NCE and ACE information for the training? I'm currently encountering a problem where MassFormer is trained with NCE information but I need to conduct inferencing with ACE information. I've made my own modification to the code but the result is quite disappointing.

Thanks!