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(Reverted ALIGNN version bump so we can get MACE in particular updated without waiting for a response) |
oerc0122
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Jan 20, 2025
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Is it necessary to update both together?
If I was being particularly finicky, I'd suggest updating them in separate PRs.
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(Rebased)
Yeah I probably should in future |
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Updates MACE, ALIGNN and SevenNet
Currently, the energy predicted by ALIGNN seems to have changed (see usnistgov/alignn#178). If this is expected, I'll update the value, but otherwise I may revert that bump, and just update MACE and SevenNet.