pro_ema_inference_epoch138_model.pt missing

[cjy818github]

Hi There

I run into this problem. It seems that pro_ema_inference_epoch138_model.pt is not in the workdir file.

Could you please provide it?

Thanks!

python run_single_protein_inference.py inputs/protein.pdb inputs/ligand.csv --savings_per_complex 40 --inference_steps 20 --header test --device 0 --python /home/jisuan/miniconda3/envs/dynamicbind/bin/python --relax_python /home/jisuan/miniconda3/envs/relax/bin/python
INFO:root:run_single_protein_inference.py inputs/protein.pdb inputs/ligand.csv --savings_per_complex 40 --inference_steps 20 --header test --device 0 --python /home/jisuan/miniconda3/envs/dynamicbind/bin/python --relax_python /home/jisuan/miniconda3/envs/relax/bin/python
2024_03_20_09_59

Number of complexes: 1
radius protein: mean 71.81570434570312, std 0.0, max 71.81570434570312
radius molecule: mean 11.038935661315918, std 0.0, max 11.038935661315918
distance protein-mol: mean 1.873965516097087e-07, std 0.0, max 1.873965516097087e-07
rmsd matching: mean 0.0, std 0.0, max 0
Traceback (most recent call last):
File "/home/jisuan/DynamicBind/inference.py", line 152, in
state_dict = torch.load(f'{args.model_dir}/{args.ckpt}', map_location=torch.device('cpu'))
File "/home/jisuan/miniconda3/envs/dynamicbind/lib/python3.10/site-packages/torch/serialization.py", line 791, in load
with _open_file_like(f, 'rb') as opened_file:
File "/home/jisuan/miniconda3/envs/dynamicbind/lib/python3.10/site-packages/torch/serialization.py", line 271, in _open_file_like
return _open_file(name_or_buffer, mode)
File "/home/jisuan/miniconda3/envs/dynamicbind/lib/python3.10/site-packages/torch/serialization.py", line 252, in init
super().init(open(name, mode))
FileNotFoundError: [Errno 2] No such file or directory: '/home/jisuan/DynamicBind/workdir/big_score_model_sanyueqi_with_time/pro_ema_inference_epoch138_model.pt'

[Nobody-Zhang]

#5