CDVAE property model evaluation for crystal structures

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  • License: Apache License (2.0)
  • Author: Nikita Kazeev
  • Requires: Python <3.13, >=3.12
  • Provides-Extra: publish
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CDVAE intoroduced, and several subsequent works used, a set of property prediction ML models to evaluate the generated structures. Here they are packaged as a separate module. Mostly for the benefit of WyFormer.

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  • License: Apache License (2.0)
  • Author: Nikita Kazeev
  • Requires: Python <3.13, >=3.12
  • Provides-Extra: publish
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1.0.2

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1.0.1

1.0.0

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