BACE
Benchmarks
TaskDatasetSOTA resultTrendResults
BACE
98.4ROC AUC
116
BACE
92.5ROC-AUC
107
BACE (test)
89.4ROC-AUC
93
BACE (MoleculeNet) scaffold (test)
0.894ROC-AUC
44
BACE 50-shot (test)
0.676ROC-AUC
40
BACE
85.8Accuracy
34
bace (test)
24.7Fidelity F1
32
BACE full-shot (test)
85.27ROC-AUC
25
BACE
0.721MCC
18
BACE 100-shot (test)
0.618ROC-AUC
15
BACE Target set
66.1F1 Score
14
BACE 5-shot
51F1 Score
12
BACE semi-supervised (test)
62.42F1 Score
12
BACE
54.18Macro F1
12
Bace MoleculeNet (test)
87.4AUC
10
BACE
87.08AUC
9
BACE (test)
1.61AU-MSE
8
BACE
70.7AUAC
8
BACE (unseen)
54.9AUC
6
BACE
0.593H-Fidelity
6
BACE (dev)
0.3Δ ID Churn
5
BACE (dev)
-0.74Delta sym-KL
5
BACE
0.571pIC50
5
BACE
10.4F1 Score
4
BACE
0.84R^2
4