Add `CHGNet.version` property

CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

https://doi.org/10.1038/s42256-023-00716-3

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Add `CHGNet.version` property #86

Closed janosh closed 10 months ago

janosh commented 10 months ago

d0ee30f add CHGNet @property version 1747180 refactor CHGNet.load() and pass model_name as version to CHGNet.__init__() 7c22ab1 add test_model_load()

BowenD-UCB commented 10 months ago

this is so quick! thanks for the fix

janosh commented 10 months ago

This isn't really a fix, just a QoL improvement. I didn't look at https://github.com/CederGroupHub/chgnet/issues/85 yet if that's what you're thinking.

janosh commented 10 months ago

The pretrained checkpoint files are not included in the v0.3.0 PyPI release. This was fixed in 0f02786 in this PR and we'll be making a v0.3.1 hot fix release today.