Hi Philipp,
This is an embarrassingly parallel problem (that's the actual technical
term, so no need to feel embarrassed. :-), meaning there's no need for
communication between threads or processes, which makes it really easy:
just split the search space, run a separate job for each fraction, and
Hey Philipp,
Python3 introduces the standard concurrent.futures package which allows for
really straightforward multiprocessing -
https://docs.python.org/3/library/concurrent.futures.html#processpoolexecutor-example.
Because the futures run on a separate process, you'll have to send smiles
(or
Dear all lovely people,
first of all, I'm rather new to to programming/python/Rdkit and probably my
issue is quite easy to solve if you're more experienced.
So I wrote a Python-Sycript simulating a reaction-workflow for a multi step
synthesis with a lot of different building blocks. The program
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