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ResearchFormerly WizWand

Classification on MoleculeNet BACE (test)

0.872ROC-AUCMolCHG
0.6262480.6900490.753850.817651Sep 5, 2022Apr 17, 2023Nov 28, 2023Jul 10, 2024Feb 19, 2025Oct 2, 2025May 15, 2026
Updated 5mo ago

Evaluation results

MethodLinks
MolCHGMode=Fine-tuning2026.050.872
S-CGIBMode=Fine-tuning2026.050.8646
HiMolMode=Fine-tuning2026.050.8614
RFEvaluation Protocol=Fine-tuned2022.090.8507
MGSSLMode=Fine-tuning2026.050.8203
GCNEvaluation Protocol=Fine-tuned2022.090.818
MoAMaMode=Fine-tuning2026.050.8132
D-MPNNEvaluation Protocol=Fine-tuned2022.090.812
GROVERMode=Fine-tuning2026.050.8113
GraphFPMode=Fine-tuning2026.050.8028
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=77M, Evaluation Protocol=Fine-tuned2022.090.799
SimSGTMode=Fine-tuning2026.050.7975
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=5M, Evaluation Protocol=Fine-tuned2022.090.793
ContextPredMode=Fine-tuning2026.050.7839
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=10M, Evaluation Protocol=Fine-tuned2022.090.783
InfomaxMode=Fine-tuning2026.050.778
GraphCLMode=Fine-tuning2026.050.778
GraphLoGMode=Fine-tuning2026.050.766
AttrMaskingMode=Fine-tuning2026.050.7595
JOAOMode=Fine-tuning2026.050.7494
JOAOv2Mode=Fine-tuning2026.050.7438
EdgePredMode=Fine-tuning2026.050.7429
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=77M, Evaluation Protocol=Fine-tuned2022.090.735
ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=5M, Evaluation Protocol=Fine-tuned2022.090.734
ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=10M, Evaluation Protocol=Fine-tuned2022.090.729
MICRO-GraphMode=Fine-tuning2026.050.6357