Hi All,

 

I've implemented multiprocessing functionality in the following command line
scripts available as part of MayaChemTools package:

 

o RDKitCalculateMolecularDescriptors.py

o RDKitCalculatePartialCharges.py

o RDKitGenerateConformers.py

o RDKitFilterChEMBLAlerts.py

o RDKitFilterPAINS.py

o RDKitPerformMinimization.py

o RDKitRemoveSalts.py

o RDKitSearchSMARTS.py

 

Please visit www.MayaChemTools.org <http://www.MayaChemTools.org>  for
further details.

 

Let me know of any questions/comments.

 

Thanks,

Manish

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