-
Notifications
You must be signed in to change notification settings - Fork 71
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Scaffold Hopping #43
Comments
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. |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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 :)
The text was updated successfully, but these errors were encountered: