Paolo Tosco
Paolo Tosco
@drassokhin The following should allow you to display the dataframe in Jupyter: `HTML(df.to_html(notebook=True))` This and other `PandasTools` issues will be addressed in the 2022.09 release (end October 2022).
@drassokhin RDKit release 2022.09 (whose [beta was released today](https://github.com/rdkit/rdkit/releases/tag/Release_2022_09_1b1)) features a complete rewrite of `PandasTools`, which was tested on versions ranging from 0.25.3 to 1.5.0.
@simonmb Unfortunately I could not find any time to look into that.
@bp-kelley `checkMetrics` is supposed to be setting `changed` to `false` when appropriate. I'll try and take a look during the weekend. I really have no time to look into this...
@cdvonbargen I think it would be a great addition.
@mattwthompson Thanks for reporting this. What happens is that the `\x##` tokens in the `MolsMatrixToGridImage` docstring within `Chem/Draw/__init__.py` ``` # Prints a binary string: b'\x89PNG\r\n\x1a\n\x00\x00\x00\rIHDR\x00\x00\x03\x84' ``` are converted by `pybind11-stubgen`...
@greglandrum This work has become part of #6646, which has already been merged. This PR is now obsolete - I has simply forgot to close it, I am doing it...
@simonmb I will fix this before next release.
Hi, unfortunately I have no time to investigate this bug until after 20th September, sorry about that.
@adelenelai Hi Adelene, I have had useful discussions with @greglandrum about this and will look into implementing it in a sensible way as soon as I have a bit of...