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predict.py running error #21

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tinyimp80 opened this issue Dec 10, 2022 · 2 comments
Closed

predict.py running error #21

tinyimp80 opened this issue Dec 10, 2022 · 2 comments

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@tinyimp80
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tinyimp80 commented Dec 10, 2022

Hi, I have some issues when running 'predict.py'.

It seems can't find 'class_checkpoint' and 'seg_checkpoint'.

python predict.py -p Downloads/3g73.pdb -c first_model_fold1_best_test_auc_85001.pth.tar -s seg0_best_test_IOU_91.pth.tar -r 3

DeepPocket/predict.py:14: DeprecationWarning: the imp module is deprecated in favour of importlib; see the module's documentation for alternative uses
import imp
/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/Bio/pairwise2.py:283: BiopythonDeprecationWarning: Bio.pairwise2 has been deprecated, and we intend to remove it in a future release of Biopython. As an alternative, please consider using Bio.Align.PairwiseAligner as a replacement, and contact the Biopython developers if you still need the Bio.pairwise2 module.
BiopythonDeprecationWarning,
/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/Bio/PDB/StructureBuilder.py:92: PDBConstructionWarning: WARNING: Chain A is discontinuous at line 3096.
PDBConstructionWarning,
/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/Bio/PDB/StructureBuilder.py:92: PDBConstructionWarning: WARNING: Chain B is discontinuous at line 3097.
PDBConstructionWarning,
/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/Bio/PDB/StructureBuilder.py:92: PDBConstructionWarning: WARNING: Chain A is discontinuous at line 3098.
PDBConstructionWarning,
/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/Bio/PDB/StructureBuilder.py:92: PDBConstructionWarning: WARNING: Chain B is discontinuous at line 3146.
PDBConstructionWarning,
/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/Bio/PDB/StructureBuilder.py:92: PDBConstructionWarning: WARNING: Chain C is discontinuous at line 3177.
PDBConstructionWarning,
/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/Bio/PDB/StructureBuilder.py:92: PDBConstructionWarning: WARNING: Chain D is discontinuous at line 3218.
PDBConstructionWarning,
***** POCKET HUNTING BEGINS *****
mkdir: cannot create directory ‘Downloads/3g73_nowat_out/pockets’: File exists
***** POCKET HUNTING ENDS *****
Traceback (most recent call last):
File "DeepPocket/predict.py", line 87, in
class_checkpoint=torch.load(args.class_checkpoint)
File "/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/torch/serialization.py", line 579, in load
with _open_file_like(f, 'rb') as opened_file:
File "/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/torch/serialization.py", line 230, in _open_file_like
return _open_file(name_or_buffer, mode)
File "/home/park/miniconda3/envs/torchdrug/lib/python3.7/site-packages/torch/serialization.py", line 211, in init
super(_open_file, self).init(open(name, mode))
FileNotFoundError: [Errno 2] No such file or directory: 'first_model_fold1_best_test_auc_85001.pth.tar'

Plz help...!!
Thanks

@RishalAggarwal
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you need to download the class and seg checkpoint files that you would like to use from the link given in the readme

@tinyimp80
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Thanks!!

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