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Molecular Property Prediction on TDC and MoleculeNet

0.828AMES ScoreGLACIER (MiniMol)
0.733360.757930.78250.80707Jun 9, 2026

Evaluation results

MethodLinks
GLACIER (MiniMol)Teacher Configuration=MiniMol, Evaluation Protocol=downstream fingerprinting2026.060.8280.8950.90.7690.8560.8030.6870.7860.6680.799
GLACIER (Mi-Mo)Teacher Configuration=MiniMol and MolFormer, Evaluation Protocol=downstream fingerprinting2026.060.8240.8830.9150.7680.8480.7830.6570.7830.6630.792
MiniMolModel Category=Graph Neural Networks, Evaluation Protocol=downstream fingerprinting2026.060.8180.8130.8790.7870.8570.8010.6230.770.680.781
GLACIER (MolFormer)Teacher Configuration=MolFormer, Evaluation Protocol=downstream fingerprinting2026.060.8090.8610.9080.7850.8440.7730.6380.7580.6440.78
COATIModel Category=Hybrid Models, Evaluation Protocol=downstream fingerprinting2026.060.7990.8150.7520.8140.6850.9020.7430.740.6330.765
RMAT-4MModel Category=Hybrid Models, Evaluation Protocol=downstream fingerprinting2026.060.7970.8440.8970.7010.8060.7980.6830.7550.640.769
MolFormerModel Category=Text Transformers, Evaluation Protocol=downstream fingerprinting2026.060.7950.8650.8810.7590.8040.7780.6050.7140.6150.757
ChemeleonModel Category=Graph Neural Networks, Evaluation Protocol=downstream fingerprinting2026.060.760.8490.7840.8190.6340.8840.7840.7280.6360.764
GIT-MolModel Category=Hybrid Models, Evaluation Protocol=downstream fingerprinting2026.060.7580.8130.8640.7310.7710.7450.6660.5710.5980.724
ChemBERTa-100MModel Category=Text Transformers, Evaluation Protocol=downstream fingerprinting2026.060.7550.8050.8990.7070.7690.7420.5880.6790.5930.726
CL-MFAPModel Category=Hybrid Models, Evaluation Protocol=downstream fingerprinting2026.060.7420.8010.8620.7480.7710.7590.6120.7010.6080.734
ChemGPT-19MModel Category=Text Transformers, Evaluation Protocol=downstream fingerprinting2026.060.740.8170.8850.720.7770.7220.6310.7080.6120.735
ChemFM-1BModel Category=Text Transformers, Evaluation Protocol=downstream fingerprinting2026.060.7370.8720.8830.7110.7580.7470.6680.7030.6120.744