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Need to make 'storage' directory before running inference #16

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pottsj21 opened this issue Aug 3, 2023 · 1 comment
Open

Need to make 'storage' directory before running inference #16

pottsj21 opened this issue Aug 3, 2023 · 1 comment

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@pottsj21
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pottsj21 commented Aug 3, 2023

When running src/inference.sh with the single_pair_inference config file provided, I get this error:

Traceback (most recent call last):
  File "/home/DiffDock-PP/src/main_inf.py", line 620, in <module>
    main()
  File "/home/DiffDock-PP/src/main_inf.py", line 354, in main
    dump_predictions(args,results)
  File "/home/DiffDock-PP/src/main_inf.py", line 383, in dump_predictions
    with open(args.prediction_storage, 'wb') as f:
FileNotFoundError: [Errno 2] No such file or directory: 'storage/single_pair_run.pkl'

Simply create a 'storage' directory before running inference.sh, or mkdir (if the dir doesn't exist) somewhere in main_inf.py

@jh2ee
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jh2ee commented Mar 18, 2024

If you run DiffDock in conda environment, you can successfully get a result. Or you have to check your python. Add PATH or ECHO

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