Hi All,

 

Just to let you know, I've updated multiprocessing functionality in the
following command line scripts available as part of MayaChemTools package:

 

o RDKitCalculateMolecularDescriptors.py

o RDKitCalculatePartialCharges.py

o RDKitFilterChEMBLAlerts.py

o RDKitFilterPAINS.py

o RDKitGenerateConformers.py

o RDKitPerformMinimization.py

o RDKitRemoveSalts.py

o RDKitSearchFunctionalGroups.py

o RDKitSearchSMARTS.py

 

The changes are made to sort out some multiprocessing issues for running
these scripts in Python 3.7 environment. In addition, a handful of other
modifications have been made to improve performance. The latest release is
available at www.MayaChemTools.org <http://www.MayaChemTools.org> .

 

Your feedback is welcome.

 

Thanks,

Manish

 

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