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Scaffold Hopping #43
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Hello. I don't know if you have solved the problem. I just had the same problem. The problem is due to a wrong parameter in line 113 of the inpaint.py file. |
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Hello!
Thank you for sharing the code.
Could you please share an example how you do scaffold hopping (or scaffold elaboration/ fragment merging/ fragment growing).
I tried using the inpaint_ligand function, but it does not seem to work.
Thanks in advance :)
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