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HeliXonProtein / binding-ddg-predictor

open source repository
Apache License 2.0
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model.pt error #5

Closed biotech70 closed 2 years ago

biotech70 commented 2 years ago

during binding-ddg-predictior, I got the below error. model.pt file exists in the data directory. 1 2

luost26 commented 2 years ago

Hi,

Thank you for your interest in our project.

Could you try change your working directory to ~/binding-ddg-predictor and run the following command:

python ./scripts/predict.py ./data/example_wt.pdb ./data/example_mut.pdb

Thanks!

biotech70 commented 2 years ago

thanks, the problem has been solved. what is the formula of ddg calculation in your tools? ddg=dgmut - dgwild or dgwild -dgmut