>
> - Why (and when) do I need to add Hydrogens to molecules
> - How to perfom 3D generation from SMILES (or other)
>
For example “Do I really need to add hydrogens before 3D generation?”
Cheers,
-Geoff
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Le 19/12/2022 à 03:12, Francois Berenger a écrit :
I _love_ the getting started with RDKit in Python document.
I went many times back to it; and it almost always (like 95% of the time)
had the example/answer I was looking for.
https://www.rdkit.org/docs/GettingStartedInPython.html
Dear all,
On 17/12/2022 22:21, Greg Landrum wrote:
Dear all,
After thinking about it but not doing anything far, far too many
times, I've finally managed to start an RDKit FAQ. For the moment I'm
using the github wiki for this since it's easy and quite visible:
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