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In RDKit master branch is a squashed ETKDG implementation that merges all the minimization steps into 1. Turned off by default, which will likely stay for at least the next release. Let's implement it.
In RDKit master branch is a squashed ETKDG implementation that merges all the minimization steps into 1. Turned off by default, which will likely stay for at least the next release. Let's implement it.