Was elemental filtering applied to the starting datasets?

txie-93 / cdvae

An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

MIT License

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Was elemental filtering applied to the starting datasets? #11

Closed sgbaird closed 2 years ago

sgbaird commented 2 years ago

E.g. don't include noble gases, don't include radioactive elements. Went through the manuscript and had trouble finding if/where this was clarified.

sgbaird commented 2 years ago

Considering in the context of:

https://github.com/sparks-baird/mp-time-split/pull/34

sgbaird commented 2 years ago

It seems like probably no element filtering (at least not filtering out the radioactive elements) in MP-20 in that there are 89 unique elements represented.

txie-93 commented 2 years ago

Thanks, @sgbaird. You are correct. There is no filtering.