I have the problem when "deeprank-gnn-esm-predict 1B6C.pdb "

[liusfore]

2023-08-28 14:39:42,737 predict:218 INFO - Generating graph, using 95 processors /mnt/data/anaconda/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/pdb2sql/interface.py:147: UserWarning: No contact atoms detected in pdb2sql warnings.warn('No contact atoms detected in pdb2sql') Issue encountered while computing graph /tmp/tmpckjcd5ha/1B6C.pkl list index out of range Graphs added to the HDF5 file Traceback (most recent call last): File "/mnt/data/anaconda/envs/deeprank-gnn-esm-gpu/bin/deeprank-gnn-esm-predict", line 8, in sys.exit(main()) File "/mnt/data/anaconda/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/deeprank_gnn/predict.py", line 336, in main graph = create_graph(pdb_path=pdb_file.parent, workspace_path=workspace_path) File "/mnt/data/anaconda/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/deeprank_gnn/predict.py", line 223, in create_graph GraphHDF5( File "/mnt/data/anaconda/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/deeprank_gnn/GraphGenMP.py", line 141, in init self._add_embedding(outfile=outfile, pdbs=pdbs, embedding_path=embedding_path) File "/mnt/data/anaconda/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/deeprank_gnn/GraphGenMP.py", line 247, in _add_embedding assert not torch.all(torch.eq(embedding_tersor, 0)) AssertionError