Egon Willighagen

> Ah, we don't have that option enabled? Let me check ... @johnmay, yes, it was enabled. I have just made the extra patch.

> Now I'm more confused how you did it @egonw. @johnmay, this is what I did (actually not in the way I hoped, but not sure if that feature still...

One complication is that it make CML support pull in the full QSAR stack too.

yes, looking forward to seeing you on Thursday. I'll will text you details later today.

> The only thing I was looking for here is a more helpful exception. The NPE doesn't tell me anything about what is going on. This is what the Strict...

What is the status of this PR? Online still has the old recipe: https://faircookbook.elixir-europe.org/content/recipes/infrastructure/iupac-names.html

I would draft the first version of this recipe.

Last week, at the Open Science Retreat I ran a trial session to learn what users need to know, and this is reflected in this write up: https://chem-bla-ics.linkedchemistry.info/2024/04/02/open-science-retreat-2.html This write...

Relevant to the [VHP4Safety](https://github.com/vhp4safety) project (PBK, QSAR models/analyses), [NanoSolveIT](https://github.com/nanosolveIT/), and others too.

I have ported some scripts: https://egonw.github.io/chempyformatics/