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No description provided.
The text was updated successfully, but these errors were encountered:
Did you say there are trained models we can use to test this?
From the calculator interface, it doesn't look like there's a default that can be automatically loaded like we have for the existing MLIPs.
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yes found some. https://pubs.aip.org/aip/jcp/article/160/15/154106/3282872/Global-machine-learning-potentials-for-molecular
Great, thanks!
We should also update the README list of supported MLIPs to include it and ALIGNN, maybe in the same list but with an (experimental) label.
This should also be a good test of the dev tutorial, particularly as it's now a bit more complicated than when I originally added ALIGNN.
alinelena
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No description provided.
The text was updated successfully, but these errors were encountered: