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Remaining Issues for Constraint Adherence Metrics. #18

@smglsn12

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@smglsn12

TODOs for constraint adherence metrics

This metric has been implemented for specific space group targets.

Space group/crystal system

  1. target a range of space groups/crystal systems rather than only an individual target https://github.com/LeMaterial/lematerial-forgebench/blob/feat/conditional-generation-sg/src/lematerial_forgebench/metrics/conditional_generation.py

Still need to be implemented
2. Composition Fidelity
3. Wyckoff Position Accuracy

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