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luwei0917 / TankBind

Open source code for TankBind. Galixir Tenchnologies
MIT License
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split_protein_and_ligand #9

Closed ileump closed 1 year ago

ileump commented 2 years ago

Hi Wei,

I ran the example prediction code and get error when using the 'split_protein_and_ligand', i wonder if it's a network problem from jupyter lab or other problem.

Thanks!

Xnip2022-07-01_15-49-48
luwei0917 commented 2 years ago

yes. it seems a network problem. The code tries to download the sdf file but failed. you probably have to prepare the .pdb, and .sdf file yourself.

ileump commented 2 years ago

hello, another question about the supported protein structure, does tankbind currently support the protein structure predicted by AlphaFold?

luwei0917 commented 2 years ago

kind of. I think the result won't be very bad. but, we haven't test its performance with AlphaFold structure.