scn_2M_oc20dense_val_ood.tar.gz appears to be missing the
edge_index information. Will this be an issue for predictions using these lmdb files?
Nope because edges are computed on the fly with our newer models. If models don’t have
edge_index defined you can set
otf_graph=True in the config to make sure it’s computed on the fly.
I see. What about ealier GNNs, like DimeNet++, SchNet? Just curious whether I can also benchmark their performance with the provided lmdb. Predictions can be made, but I got the warning message while running them.
Yup the same flag can be used for earlier models as well.