How to train on a customied dataset?

[xiehuanyi]

I have a dataset with molcules and their atoms, positions, energy, and forces information. I wonder how to train my dataset with equiformer_v2. Is it possible to support customied dataset training or at least give some tutorial or suggestion?

[yilunliao]

Hi @xiehuanyi

You can see https://github.com/atomicarchitects/equiformer , where we use Equiformer(V1) for QM9, MD17 and OC20 IS2RE datasets.

V1 and V2 are written in the same style, so that should be helpful.