On Tue, Oct 11, 2011 at 11:16 AM,  <[email protected]> wrote:
>
>> > (2)
>> > "
>> > from multiprocessing import Pool
>> > p4 = Pool(processes=4)
>> > def distij(i,j,fps=fps):
>> >        return 1-DataStructs.DiceSimilarity(fps[i],fps[j])
>> >
>> > def DivSelection(distij,nfps,quantity_train):
>> >        picker = MaxMinPicker()
>> >        picked_indices = picker.LazyPick(distij,nfps,quantity_train)
>> >        return picked_indices
>> > "
>> > pickIndices = p4.map(DivSelection, ???)
>>
>> The MaxMinPicker does not have any way to do the parallelization with
>> multiprocessing.
>>
>
> Is there any setting/property of a RDKit functionality how to detect if it
> is supported by multiprocessing?

It's not really anything to do with the RDKit. The question to ask is:
"am I doing the same operation on each of the items in a list"? If the
answer is yes, then the very simple multiprocessing pattern that I
showed will work. If not, then the problem is more difficult and it
would require more effort/thought.

-greg

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