Hi Greg,
Thanks for the pointer. I’ll take a look. If it could go in the next patch
release that would be really useful.
Dave
On Sat, 22 Oct 2022 at 10:52, Greg Landrum wrote:
>
> Hi Dave,
>
> We have multiple examples of this in the code, here’s one:
>
>
Hi Dave,
We have multiple examples of this in the code, here’s one:
https://github.com/rdkit/rdkit/blob/b208da471f8edc88e07c77ed7d7868649ac75100/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp#L40
I’m not sure how this would interact with the call to Python::extract
that’s in the bulk
Hi,
I'm doing a lot of tanimoto similarity calculations on large datasets using
BulkTanimotoSimilarity. It is an obvious candidate for parallelisation, so
I am using concurrent.futures to do so. If I use ProcessPoolExectuor, I
get good speed-up but each process needs a copy of the fingerprint
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