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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.
The text was updated successfully, but these errors were encountered:
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.
The text was updated successfully, but these errors were encountered: