zaixizhang / fair Goto Github PK

Hello Zaixi,

I've read your paper entitled "Full-Atom Protein Pocket Design via Iterative Refinement" and thought it was an excellent way to de novo generate protein structures given a ligand of interest. During the paper, you demonstrate two examples (2pc8 and 6p7r) of designed pocket sequences and structures. I was hoping you would be able to share how these were generated, as an example which others can use to correctly implement the code on your github.

Thanks.

Hi first sorry for asking a seemingly dumb question. I am new to the deep learning space from a biochemist background. The provided code only have "train.py" and "test.py" but no easy "inference.py" that specify which type of inputs to feed into the model.

Thank you!

Hi Zaixi,

  Your job is a good fit for my current needs, but now I have trouble in using it. I don't know how to input my proteins and ligand into FAIR to make a design. So how do I process my ligands and protein information so that they can work successfully?

Thanks,