error when I run preprocess_raw_data.py. How can I fix it? about equidock_public HOT 4 CLOSED

Ups, thanks for this. The current code only works for a single split. I just pushed this modification. If you want to do cross validation on multiple splits, you would have to modify the code. Also, I notice that you are using a Windows machine, but the current code is using the Linux/Mac file paths with forward slashes. You would need to adjust the code for Windows.

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Thanks. That works.

I have another question regarding how to run it:

I have run through your instruction, it seems all about processing data, training etc.
Can I just use the pre-trained model to do docking?
What is the actual command do I need to run with my own pdb?
I may miss something here.
Appreciate your help.
Thanks

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You can use our pretrained models. Just check inference_rigid.py and our instructions in the README.

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got it. thanks

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