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V2: Add more example notebooks #772

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Continued from #676, which was closed when I moved the branch from the chemprop organization to my personal fork. Please see discussion and unresolved action items there.

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kevingreenman commented Apr 18, 2024

per the checklist in #556 / #676, we should also consider adding notebooks for the following, many of which were requested by MLPDS members:

@kevingreenman kevingreenman added the mlpds Issue/PR by MLPDS member (priority) label Apr 18, 2024
@kevingreenman kevingreenman modified the milestones: v2.1.0, v2.0.1 Apr 23, 2024
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@hwpang when we add a new example notebook for custom featurizers, we should be sure we have a good example of how to use the rdkit features that were easy to do in the v1 CLI, as requested in #843 and #849

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KnathanM commented May 9, 2024

My PR #834 added a very small example of writing custom loss functions. Is that enough to check off that box, or do we want a longer worked example?

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My PR #834 added a very small example of writing custom loss functions. Is that enough to check off that box, or do we want a longer worked example?

I think maybe a little more detail than what we have so far in #834, but that's a good start

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Commenting that the linked issue removed just above my comment was un-linked because this PR will no longer attempt to run the notebooks on Colab/Binder. See that issue for why.

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[TODO]: Add example notebooks to the docs
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