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  • Need to update links to point to main instead of PR branch

Note: I made a special installer that has extra deps for the notebook and attached it to a release on this repo.

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github-actions bot commented May 2, 2023

Binder 👈 Launch a binder notebook on branch OpenFreeEnergy/ExampleNotebooks/switch_to_colab

@mikemhenry
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Grumble OSError: File error: Bad input file inputs/ligands.sdf I forgot that google colab does things differently. This should work if we ship that sdf. We could also clone the repo in one of the steps, but then we have to modify the file path...

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IAlibay commented May 2, 2023

Grumble OSError: File error: Bad input file inputs/ligands.sdf I forgot that google colab does things differently. This should work if we ship that sdf. We could also clone the repo in one of the steps, but then we have to modify the file path...

This is probably why we should be packaging up those files. Then we could just pip install the repo and access the data files directly.

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I think using our new openfe fetch tool could be a solution for the files we don't want to ship

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Now that the fetch tool is working, this should be much easier!

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Going to redo this in a different PR

@mikemhenry mikemhenry closed this Jun 5, 2023
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Superseded by #69

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3 participants