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QCEngine Interface #3

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jthorton opened this issue Sep 14, 2022 · 0 comments
Open

QCEngine Interface #3

jthorton opened this issue Sep 14, 2022 · 0 comments

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@jthorton
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jthorton commented Sep 14, 2022

Just wondering what people thought about adding an interface to QCEngine for these models similar to the Torchani interface, I guess this would specifically be a torchmd-net interface but would allow users to run the models via QCEngine. This would also allow us to run the calculations with these models in future on QCArchive once we work out how to distribute the models.

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