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Why cannot generate the CSV

Open Luckken21 opened this issue 7 months ago • 1 comments

/gpfs/share/home/2200012187/mambaforge/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/torch_geometric/data/collate.py:145: UserWarning: TypedStorage is deprecated. It will be removed in the future and UntypedStorage will be the only storage class. This should only matter to you if you are using storages directly. To access UntypedStorage directly, use tensor.untyped_storage() instead of tensor.storage() storage = elem.storage()._new_shared(numel) Traceback (most recent call last): File "/gpfs/share/home/2200012187/mambaforge/envs/deeprank-gnn-esm-gpu/bin/deeprank-gnn-esm-predict", line 8, in sys.exit(main()) File "/gpfs/share/home/2200012187/mambaforge/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/deeprank_gnn/predict.py", line 340, in main csv_output = predict(input=graph, workspace_path=workspace_path) File "/gpfs/share/home/2200012187/mambaforge/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/deeprank_gnn/predict.py", line 264, in predict output_csv = convert_to_csv(output) File "/gpfs/share/home/2200012187/mambaforge/envs/deeprank-gnn-esm-gpu/lib/python3.9/site-packages/deeprank_gnn/predict.py", line 274, in convert_to_csv assert os.path.exists(csv_path), f"CSV file {csv_path} not found." AssertionError: CSV file /gpfs/share/home/2200012187/lightdock_workspace/DeepRank-GNN-esm/lightdock_100_82.pdb_design_cdc42_323_dldesign_2_2_af2pred_cleaned-gnn_esm_pred_A_B/GNN_esm_prediction.csv not found. I successfully run another pdb, but for this , the program cannot generate the csv. Thanks a lot if you can help me

Luckken21 avatar Jul 18 '24 09:07 Luckken21