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Benchmarks
High-throughput screening on PubChem AID 435008
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25.5
logAUC
MolKGNN
14.268
17.184
20.1
23.016
Apr 25, 2026
logAUC
Updated 1mo ago
Evaluation Results
Method
Method
Links
logAUC
MolKGNN
2026.04
25.5
OverlapBPE
Chirality=chiral
2026.04
22.1
SphereNet
2026.04
21.5
OverlapBPE
Chirality=non-chiral
2026.04
21.1
DimeNet++
2026.04
20.3
SchNet
2026.04
18.7
ChiRo
2026.04
16.8
KerGNN
2026.04
14.7
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