Hi! I have developed a small script that calculates molecules properties for molecules that are stored in a SMILES file. The properties should be stored in an SQL database, which works fine, but I would like to speed up the process a bit. I was thinking of implementing some parallelization for the calculating of properties and storing into separate connections to my SQL database. I have done this before in Python with OpenEye and seems to be doing the trick. I would however want my code to useable by people who do not hold a license for OpenEye, which is why I try RDKit. I would like my code to be in C++ as well.
I was wondering how I would tackle this problem. Does the RDKit have a similar functionality as an "oemolithread" to chunk up the incoming stream? I haven't found something like this when I first scrolled through documentation. If it is not implemented, how would I divide the work on incoming molecules over N threads? All help is very appreciated. Thanks in advance. Best regards, Andreas Luttens
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