diff --git a/mofa/scoring/cgcnn_inference.py b/mofa/scoring/cgcnn_inference.py index cdab6ab8..8e6fae9d 100644 --- a/mofa/scoring/cgcnn_inference.py +++ b/mofa/scoring/cgcnn_inference.py @@ -1,7 +1,6 @@ import os import ase from pymatgen.io.ase import AseAtomsAdaptor -from train.dist_utils import get_local_rank, init_distributed import torch.nn as nn import torch.distributed as dist from torch_geometric.loader import DataLoader