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Water

Benchmarks

Task NameDataset NameSOTA ResultTrend
Classificationwater (val)
AUROC64.1
12
Energy and Force PredictionWater (test)
MAE E (meV/at.)15.7
8
Causal IdentificationWater real-world 32 nodes, 66 edges
Time (s)0.0017
5
Causal DiscoveryWater (26,3,3)
F1 Score73
5
Causal DiscoveryWater (29,0,3)
F1 Score87
5
Causal DiscoveryWater (29,3,0)
F1 Score82
5
Electronic Property PredictionWater
MAE (K)17.59
2
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