Greg Landrum
Greg Landrum
@jonasjuerss this is what I see in `rdmolfiles.pyi` using a conda installation: ``` @staticmethod def GetText(mol: Mol, confId: int = -1, props_list: _vectNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE = ...) -> str: ``` If you...
Thanks for the info, but that doesn't help. I was asking to see if the problem occurs in a conda install of the rdkit, not a pip install into a...
> > Thanks for the info, but that doesn't help. I was asking to see if the problem occurs in a conda install of the rdkit, not a pip install...
@mwojcikowski : can you please try creating the index like this: `create index diff_fp_idx on test_reaction using gist(diff_fp gist_sfp_low_ops);` This works for me on your simple example, but I don't...
Sorry for me being so slow to comment on this. Though I agree that it would be better if the canonical tautomer did not change with the stereochemistry in the...
This is a question, not a bug report and seems to be resolved. Please ping this if it should be reopened
The description of the PR should also include the introduction of `PNGMetadataParams` and the associated improvements to the metadata addition functions
@bp-kelley is this a bug or is the RGD code behaving as expected and handling this would be an enhancement?
> I think we should fix this in the documentation and then this becomes a feature request, although I think this goes pretty deep. Makes sense. Can you do a...