Add ani-1xnr model #653
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Add ani-1xnr model #653
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JMorado
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yueyericardo,
IgnacioJPickering and
farhadrgh
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Hi,
With the release of the reactive potential ANI-1xnr (paper and GitHub repository), I thought it would be beneficial to integrate this MLP into
torchani, allowing other interfaces that rely on this package to take advantage of it. I've been testing the integration using theopenmm-mlinterface, and so far, it seems to be working quite well.