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Pull components we rely on from openff-models into gufe #397

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dotsdl opened this issue Nov 12, 2024 · 1 comment
Open

Pull components we rely on from openff-models into gufe #397

dotsdl opened this issue Nov 12, 2024 · 1 comment
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@dotsdl
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dotsdl commented Nov 12, 2024

It is unlikely that openff-models will have future releases, and none of the OpenFF stack currently depends on it (recently, the small bits openff-interchange were depending on where merged directly in to that library).

Because of this, it makes sense for us to identify the pieces of openff-models gufe currently depends on and migrate those pieces directly into gufe. We can follow this up with simplification where possible.

@IAlibay
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IAlibay commented Nov 12, 2024

This needs more discussion - it's unclear to me that we want to take the openff-models code instead of the refactor that is now in interchange.

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