VirtualFlow / VFVS

VirtualFlow for Virtual Screening
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Can the python-develop branch be used well now? #20

Closed freeenergylab closed 1 year ago

freeenergylab commented 1 year ago

I wonder if the python-develop branch can be used to do large scale virtual screening now? And, what format for ligand-library?

cgorgulla commented 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.

freeenergylab commented 1 year ago

Done, closed now.