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How is openmm-ml supposed to work with NNPOps #19

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jchodera opened this issue Jan 21, 2022 · 1 comment
Open

How is openmm-ml supposed to work with NNPOps #19

jchodera opened this issue Jan 21, 2022 · 1 comment

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@jchodera
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@peastman @raimis : I was chatting with @dominicrufa and @jeherr today, and we're unclear on how we are supposed to use the new NNPOps conda package with openmm-ml. Can you give us an example of how we are supposed to use NNPOps with openmm-ml?

@peastman
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You aren't yet. That's still under development. Once all the pieces are finished and integrated with each other, you won't have to do anything particular. It will use it automatically.

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