Skip to content
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.

Sign up for GitHub

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

Jump to bottom

how to generate molecule from my protein? #13

Closed
Neo-Flash opened this issue Mar 25, 2022 · 2 comments
Closed

how to generate molecule from my protein? #13

Neo-Flash opened this issue Mar 25, 2022 · 2 comments

Comments

@Neo-Flash
Copy link

Hi, thanks for sharing,

could you please tell me how to use SBDD to generate molecules on MY protein (which already have a ligand) ? not the given protein from crossdock dataset

Thank you very much!
@luost26
Copy link
Owner

luost26 commented Apr 3, 2022

Hi,

Now you may use sample_for_pdb.py to generate ligands for your proteins. Instructions and examples are in the README.

@Neo-Flash
Copy link
Author

Thanks！

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@luost26 @Neo-Flash