Hi Christos,
thanks for pointing out the pickle issue and the solution using
PropertyMol. After reading the documentation this should definitely solve
the problem.
Best,
Michael
Michael Reutlinger, PhD
Scientist, Molecular Design and Chemical Biology
Roche Pharma Research and Early Development
Hi Michael,
The problem occurs because child processes return their results using
pickle, and the ordinary rdkit molecule object when is being pickled it
looses information.
A solution that I use is to convert the molecule objects to PropertyMol
objects, which retain their properties.
Best,
Chri
Hi all,
I am currently trying to parallelize part of a script using RDKIT and
concurrent.futures. The function that is executed in parallel returns
processed molecules as RDKIT Mol objects.
Without parallelization everything is fine and the Mol objects keep all the
properties that they had before
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