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Benchmarks
High-throughput screening on PubChem AID 1798
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28.2
logAUC
OverlapBPE
6.984
12.492
18
23.508
Apr 25, 2026
logAUC
Updated 1mo ago
Evaluation Results
Method
Method
Links
logAUC
OverlapBPE
Chirality=non-chiral
2026.04
28.2
OverlapBPE
Chirality=chiral
2026.04
21.7
DimeNet++
2026.04
20.8
SphereNet
2026.04
19.6
SchNet
2026.04
19.5
MolKGNN
2026.04
17.4
ChiRo
2026.04
16.5
KerGNN
2026.04
7.8
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