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[WIP] Changes needed in support of alchemiscale-fah #45

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@dotsdl dotsdl commented Apr 12, 2024

This PR contains all changes needed for alchemiscale-fah MVP support.

@dotsdl dotsdl changed the title Changes needed in support of alchemiscale-fah [WIP] Changes needed in support of alchemiscale-fah Apr 12, 2024
@dotsdl dotsdl self-assigned this Apr 16, 2024
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dotsdl commented Apr 30, 2024

@ijpulidos can I get an initial review on this one? I'm not sure we'll need any additional changes in feflow in support of openforcefield/alchemiscale-fah#7, but I'll keep it in [WIP] state until I'm certain of that. A review will still be helpful to ensure there aren't any obvious gaps in the changes here.

@dotsdl dotsdl requested a review from ijpulidos April 30, 2024 15:40
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dotsdl commented Apr 30, 2024

Actually, I think @ijpulidos is on vacation starting today; can I get a review from you instead @IAlibay?

@dotsdl dotsdl requested review from IAlibay and removed request for ijpulidos April 30, 2024 15:41
@dotsdl dotsdl added this to the 0.1.0 release milestone Apr 30, 2024
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