Questions about the LEP dataset

[smiles724]

Hi, dear authors of atom3d, thanks for providing the data collection. I encounter a problem in understanding the LEP dataset.

If my understanding is correct, each data point has an 'atoms_active' and an 'atoms_inactive'. These two correspond to two different protein-ligand pairs, with one positive label and one negative label. However, there is also another key named 'label'. It takes two sorts of values: A or I.

I guess A stands for active, and I represents inactive? Therefore, it seems contradictory because what this 'label' is used for?