binding affinity embedding dimesion issue

[rokieplayer20]

I moved scripts/property_prediction/inference.py into targetdiff directory.
I used "python inference.py --ckpt_path pretrained_models/egnn_pdbbind_v2016.pt --protein_path examples/1h36_A_rec_1h36_r88_lig_tt_docked_0_pocket10.pdb --ligand_path examples/1h36_A_rec_1h36_r88_lig_tt_docked_0.sdf"

I encounted
RuntimeError: Error(s) in loading state_dict for PropPredNet:
size mismatch for ligand_atom_emb.weight: copying a param with shape torch.Size([256, 30]) from checkpoint, the shape in current model is torch.Size([256, 31]).

The embedding dimension is different from each other.

[guanjq]

Please refer to the issue. #1 It should be the problem of RDKit version.

[rokieplayer20]

It would be nice!