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drug

Benchmarks

TaskDatasetSOTA resultTrendResults

Coreset Construction

Drug

3.23Wasserstein Distance

30

Multi-class Classification

Drug

68.6Accuracy

8

Hyperedge Prediction

Drug (test)

0.964AUC

7

Hyperedge prediction

drug non-k-uniform (test)

96.1AUC

7

Molecular Graph Generation

DRUG

84.5Atom Stability

6

Energy and Force Prediction

Drug DPA2 (test)

1.4Energy RMSE (meV/atom)

5

Network reconstruction

drug

0.988AUC

5

Accuracy Estimation

Drug

5.6Mean Error (Mean)

3

Pair-wise edge prediction

drug non-k-uniform (test)

99.9AUC

2