Dear RDkit users, I am using futures.ProcessPoolExecutor to execute some functions in parallel mode. But when passing RDkit mol object, the molecule properties are not preserved by default. There was a similar topic raised in 2017 ( https://sourceforge.net/p/rdkit/mailman/message/35602828/).
As ProcessPoolExecutor need to pickle the parameters, refer to a ticket raised in 2017 (https://github.com/rdkit/rdkit/issues/1320), I have come up with the following solution: - before submit jobs to ProcessPool, change the default rdkit mol pickle setting - Chem.SetDefaultPickleProperties(Chem.PropertyPickleOptions.AllProps) inside the function that is called by the ProcessPool jobs, change the default rdkit mol pickle setting - Chem.SetDefaultPickleProperties(Chem.PropertyPickleOptions.AllProps) - HTH Zhenting 11/22/2020 - -
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