Dear Greg,
Dear Nik,
thanks for your very quick and informative answers!
I hope you two guys do not follow a battle rightaway :)
> > (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?
Cheers,
Paul
This message and any attachment are confidential and may be privileged or
otherwise protected from disclosure. If you are not the intended recipient,
you must not copy this message or attachment or disclose the contents to
any other person. If you have received this transmission in error, please
notify the sender immediately and delete the message and any attachment
from your system. Merck KGaA, Darmstadt, Germany and any of its
subsidiaries do not accept liability for any omissions or errors in this
message which may arise as a result of E-Mail-transmission or for damages
resulting from any unauthorized changes of the content of this message and
any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its
subsidiaries do not guarantee that this message is free of viruses and does
not accept liability for any damages caused by any virus transmitted
therewith.
Click http://disclaimer.merck.de to access the German, French, Spanish and
Portuguese versions of this disclaimer.
------------------------------------------------------------------------------
All the data continuously generated in your IT infrastructure contains a
definitive record of customers, application performance, security
threats, fraudulent activity and more. Splunk takes this data and makes
sense of it. Business sense. IT sense. Common sense.
http://p.sf.net/sfu/splunk-d2d-oct
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
