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Benchmarks
Interatomic Potential modeling on ab initio liquid water (test)
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93.1
Coverage@95
Ensemble(cal)
22.796
41.048
59.3
77.552
Feb 11, 2026
Coverage@95
Avg. MAE (kcal/mol/Å)
Energy Score
Calibration Error
NLL
Updated 4d ago
Evaluation Results
Method
Method
Links
Coverage@95
Avg. MAE (kcal/mol/Å)
Energy Score
Calibration Error
NLL
Ensemble(cal)
Inference Time per-ato...
2026.02
93.1
-
-
25.6
2.74
Ensemble(raw)
Inference Time per-ato...
2026.02
25.5
-
-
38
237.62
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