sunxiaolin

icon location Ph.D. student at the University of Tokyo

Results 2 comments of sunxiaolin

Question: error on ligand is outside the grid box

I got the same error for one protein. It was fixed only by reinstall vina==1.2.2 from 1.2.3.....nothing changed in my code. I do not know what was wrong.

Any suggestion to generate 1-D vectors using diffusion model

Hi, have you figured out a way to do 1-D vector training and generation?