Fixing pytest nbval fails

volkamerlab / teachopencadd

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

https://projects.volkamerlab.org/teachopencadd

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Fixing pytest nbval fails #332

Closed mbackenkoehler closed 1 year ago

mbackenkoehler commented 1 year ago

The output checks fail, because in the new pandas version, the output is formatted slightly different.

EDIT by @dominiquesydow: See more details in issue https://github.com/volkamerlab/teachopencadd/issues/329

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mbackenkoehler commented 1 year ago

Just marked as ready, to get the CI to run.

mbackenkoehler commented 1 year ago

Some outputs do not render correctly in T018 anymore. See #334

dominiquesydow commented 1 year ago

@mbackenkoehler, I am not sure but maybe the new pandas version 2.0.0 does not play well with rdkit's PandasTools module and that is why we do not see the molecule images anymore?