Closed freeenergylab closed 1 year ago
Yes, it can be used. The same format for the ligand library than for the bash version can be used (meta-tranche), and in addition a new format (hash) that will be described soon via the documentation and tutorials.
Done, closed now.
I wonder if the python-develop branch can be used to do large scale virtual screening now? And, what format for ligand-library?