SimBio

Results 2 comments of SimBio

Please make a batch submission example.

what if I am dealing with several hundred ligands in pdbqt format stored in a directory? How can I do the docking in the batch mode? Thank you in advance,...

Docker to run it

Hi, I want to install it on a server that does not allow for conda-mediated installation. Could you provide a requirements.txt file to be compatible with PIP installation?