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update abfe_analysis notebook#305

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atravitz merged 2 commits intomainfrom
update_abfe_data
Apr 28, 2026
Merged

update abfe_analysis notebook#305
atravitz merged 2 commits intomainfrom
update_abfe_data

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@atravitz atravitz commented Apr 24, 2026

this updates the notebook to pull the new format of results data with multiple units and carry over some of the changes from openfe's gather to handle the changes.

We expect the CI to still fail on the septop analysis notebook.

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Colab 👈 Launch a Colab session on branch update_abfe_data

Comment thread abfe_tutorial/abfe_analysis.ipynb
@atravitz atravitz marked this pull request as ready for review April 24, 2026 18:49
Comment thread abfe_tutorial/abfe_analysis.ipynb
Comment thread abfe_tutorial/abfe_analysis.ipynb
@hannahbaumann hannahbaumann self-assigned this Apr 28, 2026
@atravitz atravitz merged commit 2b435a2 into main Apr 28, 2026
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@atravitz atravitz deleted the update_abfe_data branch April 28, 2026 16:05
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