Hi guys,
Is there a way to limit the execution time of the "EmbedMultipleConfs"
function to like 10 seconds and return cids already generated? Thank you!
Best,
Leon
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Hello,
I'm trying to "recreate" a template ROMol compound by editing a RWMol using a
stochastic algorithm. To guide the algorithm I would like to use Morgan
fingerprints, with the goal being to reach a Tanimoto coefficient of 1 between
the current molecule's fingerprint and a reference
Hi,
I have just built the current snapshot of RDKit from the git repo on a
MacBook Pro with the latest macOS (Catalina 10.15.3). I used the conda
build recipe from
https://github.com/rdkit/rdkit/blob/master/Docs/Book/Install.md#how-to-build-from-source-with-conda
:
conda create -n
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