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- R<sup>2</sup> # need both R2 and HTML version for different parts of the code
- Recall
- TN
- TNR
- TP
- TPR
lower_is_better: [MAE, RMSE, FPR, FNR, FP, FN]
geo_opt:
higher_is_better:
- σ<sub>match</sub>
lower_is_better:
- RMSD
- σ<sub>dec</sub>
# - σ<sub>inc</sub> # unclear if lower symmetry increase is really better, could be model actually found a higher symmetry lower-energy structure than DFT optimizer