Small fixes in T021

[t-kimber]

This PR fixes small things in T021:

• ChEMBL25 is used in the notebook. In the theory, v17 was mentioned. This has been updated and numbers are taken from here: https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_25/chembl_25_release_notes.txt
• SMILES and atoms were sometimes in quotes, sometimes in code style. Now all is in code style.
• Quotes were not consistent (single, forward double, etc.), now all consistent to " .
• Numbers were not in math mode.
• Remove extra long cell output.
• Remove unused library reference (timeit).
• Remove the bracket when mention a function in markdown.
• Minor formulation edits.

Note:
I still think that we should remove the suppl. material in this notebook.

Status

• Ready to go

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[AndreaVolkamer]

@t-kimber looks great. Thanks for the detailed update.
Ready to be merged!

[t-kimber]

Great, thanks @AndreaVolkamer !

@dominiquesydow, can you just confirm that the tests that are failing are still okay to be merged on master or am I breaking something which is passing on master?

[dominiquesydow]

Great, thanks @AndreaVolkamer !

@dominiquesydow, can you just confirm that the tests that are failing are still okay to be merged on master or am I breaking something which is passing on master?

Could you please re-generate the READMEs with

for path in teachopencadd/talktorials/T*/talktorial.ipynb; do
    python devtools/regenerate_readmes.py --output README.md $path
done

The Windows fail is odd, it does not say why. I will check it again when the README pushs triggered rerunning the CI.

[dominiquesydow]

@t-kimber, I think you can merge this now :)

The "This check failed" problem under Windows could be temporary from GHA's side

• (X) This check failed - sometimes happens on macOS runner actions/runner-images#841
• This check failed - happened since today when no self-hosted instance available actions/runner-images#2024

The Docs fail due to "broken" links that are not broken...
Remindes me of this issue, which I haven't had the time to follow up on, yet:

• Linkinator errors with HTML code 0 JustinBeckwith/linkinator#330

Will open an issue to address all this separately :)