txie-93 / cdvae

An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
MIT License
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Underscore vs. hyphen in cli arg `mp_20` correct, `mp-20` not #16

Open sgbaird opened 2 years ago

sgbaird commented 2 years ago

Not a big deal, but could add mp-20, perov-20, and carbon-20 in addition to the underscored versions for data=...

sgbaird commented 2 years ago

Similarly, it has a third set of definitions, appearing as mp20, carbon, and perovskite in dict keys for the evaluation metrics.

https://github.com/txie-93/cdvae/blob/f857f598d6f6cca5dc1ea0582d228f12dcc2c2ea/scripts/compute_metrics.py#L26-L30