how to generate molecule from my protein?

[Neo-Flash]

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]

Hi,

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

[Neo-Flash]

Thanks！