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update network generation kwarg to match openfe (and deprecate)#62

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atravitz merged 9 commits intomainfrom
update_network_generation_kwargs
Jan 24, 2025
Merged

update network generation kwarg to match openfe (and deprecate)#62
atravitz merged 9 commits intomainfrom
update_network_generation_kwargs

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@atravitz atravitz commented Jan 16, 2025

We want to rename molecules to ligands to match the openfe and konnektor naming conventions.

Related to OpenFreeEnergy/openfe#1070

Open to other methods of deprecation, I liked this decorator approach.

@atravitz atravitz self-assigned this Jan 16, 2025
@atravitz atravitz added this to the 3.2.0 milestone Jan 21, 2025
@atravitz atravitz marked this pull request as ready for review January 21, 2025 22:53
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Two small things, otherwise lgtm!

@atravitz atravitz requested a review from IAlibay January 23, 2025 19:36
@atravitz atravitz merged commit de7d03e into main Jan 24, 2025
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@atravitz atravitz deleted the update_network_generation_kwargs branch January 24, 2025 15:45
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