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@IAlibay IAlibay commented Oct 21, 2025

Main discussion point here is that I had to drop the to_rfe_alchemical_network portion of the create_alchemical_networks notebook.

This was necessary because the latter cannot adapt settings.

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@IAlibay IAlibay requested review from atravitz and jthorton October 21, 2025 11:55
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@jthorton jthorton Oct 21, 2025

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Not a fan of the new dict repr {'unit': 'kelvin', 'val': 298.15} compared to the old <Quantity(298.15, 'kelvin')> but thats just a personal pref.


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lgtm with one comment to update, I think you might already be working on the format of the settings output in gufe?

@atravitz atravitz merged commit a93695d into main Oct 23, 2025
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@atravitz atravitz deleted the v1.7_cookbooks branch October 23, 2025 22:59
atravitz added a commit that referenced this pull request Oct 24, 2025
atravitz added a commit that referenced this pull request Oct 24, 2025
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4 participants