Re: [Rdkit-discuss] Multiprocessing/Threading in Python/Rdkit

2021-06-11 Thread Jin Pan
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

[Rdkit-discuss] Multiprocessing/Threading in Python/Rdkit

2021-06-11 Thread Philipp Otten
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