RosettaCommons / RFDesign

Protein hallucination and inpainting with RoseTTAFold

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Error in running hallucination

JonathanEAsh opened this issue · comments

Command: python hallucinate.py --pdb=../test/input/4e3b.pdb --mask="A30-40" --out=../test/output/
Output: FileNotFoundError:
Traceback (most recent call last):
File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign/hallucination/hallucinate.py", line 739, in
main()
File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign/hallucination/hallucinate.py", line 273, in main
Net, net_params = optimization.load_structure_predictor(script_dir, args, device)
File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign/hallucination/util/../optimization.py", line 297, in load_structure_predictor
weights = torch.load(chks[0],map_location=torch.device(device))
File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign_env/SE3-nvidia/lib/python3.9/site-packages/torch/serialization.py", line 594, in load
with _open_file_like(f, 'rb') as opened_file:
File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign_env/SE3-nvidia/lib/python3.9/site-packages/torch/serialization.py", line 230, in _open_file_like
return _open_file(name_or_buffer, mode)
File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign_env/SE3-nvidia/lib/python3.9/site-packages/torch/serialization.py", line 211, in init
super(_open_file, self).init(open(name, mode))
[Errno 2] No such file or directory: '/projectsp/f_sdk94_1/PDZ_complex/RFDesign/hallucination/weights//rf_Nov05/BFF_last.pt'

The weights file BFF_last.pt, which is listed under checkpoints in models.json, does not exist. Is there something I did wrong in my command? Or should this weights file be obtained elsewhere?

the weights file is separate. see full instructions in the readme: https://github.com/RosettaCommons/RFDesign

On Thu, Mar 16, 2023 at 8:25 PM Jonathan Ash @.> wrote: Command: python hallucinate.py --pdb=../test/input/4e3b.pdb --mask="A30-40" --out=../test/output/ Output: FileNotFoundError: Traceback (most recent call last): File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign/hallucination/hallucinate.py", line 739, in main() File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign/hallucination/hallucinate.py", line 273, in main Net, net_params = optimization.load_structure_predictor(script_dir, args, device) File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign/hallucination/util/../optimization.py", line 297, in load_structure_predictor weights = torch.load(chks[0],map_location=torch.device(device)) File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign_env/SE3-nvidia/lib/python3.9/site-packages/torch/serialization.py", line 594, in load with _open_file_like(f, 'rb') as opened_file: File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign_env/SE3-nvidia/lib/python3.9/site-packages/torch/serialization.py", line 230, in _open_file_like return _open_file(name_or_buffer, mode) File "/projectsp/f_sdk94_1/PDZ_complex/RFDesign_env/SE3-nvidia/lib/python3.9/site-packages/torch/serialization.py", line 211, in init super(_open_file, self).init(open(name, mode)) [Errno 2] No such file or directory: '/projectsp/f_sdk94_1/PDZ_complex/RFDesign/hallucination/weights//rf_Nov05/BFF_last.pt' The weights file BFF_last.pt, which is listed under checkpoints in models.json, does not exist. Is there something I did wrong in my command? Or should this weights file be obtained elsewhere? — Reply to this email directly, view it on GitHub <#49>, or unsubscribe https://github.com/notifications/unsubscribe-auth/AABCU54VIQEPVJIUD2V3TPTW4NZMHANCNFSM6AAAAAAV5WLDWI . You are receiving this because you are subscribed to this thread.Message ID: @.>

Completely overlooked this. Thank you!