Hardware requirements

want to know the minimal and optimal hardware requirements for running VirtualFlow

Hi XCheng and welcome to the forum,

I don’t think that we can strictly define the minimal hardware requirements in this case (in principle it can be run on a very low number of CPUs). The point of VirtualFlow is to allow one to screen large compounds libraries (such as the ENAMINE REAL library) with little if any loss in performance (the performance of VF scales in a almost linear fashion with the number of CPUs used).

So the optimal hardware requirement, I would say that it depends on

(1) how large your library is
(2) how fast you want the results
(3) how exhaustive you want your search to be
(4) the hardware (and financial) resources that you have at your disposal