Ranjee

Results 12 comments of Ranjee

I want to use empirical scoring functions in every steps, I choose: `gnina -r rec.pdb -l lig.sdf --autobox_ligand orig.sdf --scoring vinardo --cnn_scoring none -o vinardo_docked.sdf.gz` Then, will the vinardo utilize...

SORRY but I still find "--scoring vinardo --cnn_scoring none" uses GPUs when the command is `gnina -r rec.pdb -l 176.sdf --autobox_ligand orig.sdf -o 176_docked.sdf --scoring vinardo --cnn_scoring none`, maybe you...