T002: Fix usage of deprecated pandas function #331
Conversation
|
Check out this pull request on See visual diffs & provide feedback on Jupyter Notebooks. Powered by ReviewNB |
|
Merging this solves #328 |
There was a problem hiding this comment.
Hi @mbackenkoehler, thank you for updating this notebook!
As already raised for T018 in #334, the rdkit molecules do not currently show in the DataFrame.
Could you please confirm this behavior locally? We have seen this issue with earlier rdkit versions but this was fixed on their end, not sure why this is showing up again.
|
The screenshot in #334 is from a fresh local install using teachopencadd/devtools/test_env.yml Line 32 in 3c6230d |
|
This is an issue @greglandrum pointed us to and provided a solution for it, we need to insert this line after adding the molecule column to the dataframe: |
|
So maybe Greg's PR can be merged first and then I update this branch? |
|
@mbackenkoehler generally yes, but he only applied it to T004, but there are more instances that we need to fix (I've asked @hamzaibrahim21 to take care of this). |
This fixes the use of the deprecated
appendin the plotting function.See issue #328