Molecular Property Prediction on TDC and MoleculeNet
0.828AMES ScoreGLACIER (MiniMol)
Evaluation Results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| GLACIER (MiniMol)Teacher Configuration=MiniMol, Evaluation Protocol=downstream fingerprinting2026.06 | 0.828 | 0.895 | 0.9 | 0.769 | 0.856 | 0.803 | 0.687 | 0.786 | 0.668 | 0.799 | |
| GLACIER (Mi-Mo)Teacher Configuration=MiniMol and MolFormer, Evaluation Protocol=downstream fingerprinting2026.06 | 0.824 | 0.883 | 0.915 | 0.768 | 0.848 | 0.783 | 0.657 | 0.783 | 0.663 | 0.792 | |
| MiniMolModel Category=Graph Neural Networks, Evaluation Protocol=downstream fingerprinting2026.06 | 0.818 | 0.813 | 0.879 | 0.787 | 0.857 | 0.801 | 0.623 | 0.77 | 0.68 | 0.781 | |
| GLACIER (MolFormer)Teacher Configuration=MolFormer, Evaluation Protocol=downstream fingerprinting2026.06 | 0.809 | 0.861 | 0.908 | 0.785 | 0.844 | 0.773 | 0.638 | 0.758 | 0.644 | 0.78 | |
| COATIModel Category=Hybrid Models, Evaluation Protocol=downstream fingerprinting2026.06 | 0.799 | 0.815 | 0.752 | 0.814 | 0.685 | 0.902 | 0.743 | 0.74 | 0.633 | 0.765 | |
| RMAT-4MModel Category=Hybrid Models, Evaluation Protocol=downstream fingerprinting2026.06 | 0.797 | 0.844 | 0.897 | 0.701 | 0.806 | 0.798 | 0.683 | 0.755 | 0.64 | 0.769 | |
| MolFormerModel Category=Text Transformers, Evaluation Protocol=downstream fingerprinting2026.06 | 0.795 | 0.865 | 0.881 | 0.759 | 0.804 | 0.778 | 0.605 | 0.714 | 0.615 | 0.757 | |
| ChemeleonModel Category=Graph Neural Networks, Evaluation Protocol=downstream fingerprinting2026.06 | 0.76 | 0.849 | 0.784 | 0.819 | 0.634 | 0.884 | 0.784 | 0.728 | 0.636 | 0.764 | |
| GIT-MolModel Category=Hybrid Models, Evaluation Protocol=downstream fingerprinting2026.06 | 0.758 | 0.813 | 0.864 | 0.731 | 0.771 | 0.745 | 0.666 | 0.571 | 0.598 | 0.724 | |
| ChemBERTa-100MModel Category=Text Transformers, Evaluation Protocol=downstream fingerprinting2026.06 | 0.755 | 0.805 | 0.899 | 0.707 | 0.769 | 0.742 | 0.588 | 0.679 | 0.593 | 0.726 | |
| CL-MFAPModel Category=Hybrid Models, Evaluation Protocol=downstream fingerprinting2026.06 | 0.742 | 0.801 | 0.862 | 0.748 | 0.771 | 0.759 | 0.612 | 0.701 | 0.608 | 0.734 | |
| ChemGPT-19MModel Category=Text Transformers, Evaluation Protocol=downstream fingerprinting2026.06 | 0.74 | 0.817 | 0.885 | 0.72 | 0.777 | 0.722 | 0.631 | 0.708 | 0.612 | 0.735 | |
| ChemFM-1BModel Category=Text Transformers, Evaluation Protocol=downstream fingerprinting2026.06 | 0.737 | 0.872 | 0.883 | 0.711 | 0.758 | 0.747 | 0.668 | 0.703 | 0.612 | 0.744 |