Molecular Property Prediction on Polaris & MoleculeACE Aggregate (58 tasks)
50Win CountTabPFN-CheMeleonFP
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| TabPFN-CheMeleonFPInput Representation=CheMeleonFP2026.04 | 50 | 86.2 | 4.52 | |
| TabICL-CheMeleonFPInput Representation=CheMeleonFP2026.04 | 43 | 74.1 | 6.31 | |
| TabPFN-MordredInput Representation=Mordred2026.04 | 39 | 67.2 | 5.71 | |
| TabPFN-RDKit2dInput Representation=RDKit2d2026.04 | 33 | 56.9 | 5.31 | |
| TabICL-RDKit2dInput Representation=RDKit2d2026.04 | 32 | 55.2 | 5.9 | |
| TabICL-CLAMPInput Representation=CLAMP2026.04 | 25 | 43.1 | 8.86 | |
| CheMeleonMode=Fine-tuned2026.04 | 24 | 41.4 | 8.84 | |
| TabICL-MordredInput Representation=Mordred2026.04 | 22 | 37.9 | 8.35 | |
| TabPFN-CLAMPInput Representation=CLAMP2026.04 | 22 | 37.9 | 8.91 | |
| TabPFN-CheMeleonFPInput representation=CheMeleonFP2026.04 | 20 | 71.4 | 7.11 | |
| TabICL-CheMeleonFPInput representation=CheMeleonFP2026.04 | 20 | 71.4 | 8.79 | |
| minimol2026.04 | 19 | 32.8 | 11.43 | |
| TabPFN-MordredInput representation=Mordred2026.04 | 19 | 67.9 | 6.75 | |
| TabPFN-RDKit2dInput representation=RDKit2d2026.04 | 18 | 64.3 | 5.43 | |
| TabICL-RDKit2dInput representation=RDKit2d2026.04 | 16 | 57.1 | 6.54 | |
| TabICL-CLAMPInput representation=CLAMP2026.04 | 16 | 57.1 | 9.79 | |
| TabPFN-CLAMPInput representation=CLAMP2026.04 | 15 | 53.6 | 9.54 | |
| minimol2026.04 | 15 | 53.6 | 11 | |
| RF2026.04 | 14 | 50 | 12.29 | |
| TabPFN-MorganInput Representation=Morgan2026.04 | 13 | 22.4 | 12.98 | |
| CheMeleon2026.04 | 13 | 46.4 | 10.25 | |
| RF Morgan PhyschemInput representation=Morgan Physchem2026.04 | 13 | 46.4 | 11.04 | |
| TabICL-MordredInput representation=Mordred2026.04 | 12 | 42.9 | 9.39 | |
| CatBoost-MordredInput Representation=Mordred2026.04 | 11 | 19 | 12.05 | |
| RF MorganInput Representation=Morgan2026.04 | 10 | 17.2 | 15.12 | |
| CatBoost-MordredInput representation=Mordred2026.04 | 10 | 35.7 | 12.25 | |
| TabICL-MorganInput Representation=Morgan2026.04 | 8 | 13.8 | 17.64 | |
| TabPFN-MorganInput representation=Morgan2026.04 | 7 | 25 | 16.07 | |
| MLP PLR PretrainedConfig=Pretrained2026.04 | 6 | 10.3 | 16.6 | |
| RF MordredInput Representation=Mordred2026.04 | 6 | 10.3 | 17.5 | |
| MoLFormer2026.04 | 6 | 10.3 | 18.36 | |
| XGBoost-MordredInput Representation=Mordred2026.04 | 6 | 10.3 | 19.53 | |
| MLP PLR Pretrained2026.04 | 6 | 21.4 | 14.39 | |
| RF MordredInput representation=Mordred2026.04 | 6 | 21.4 | 17.86 | |
| MoLFormer2026.04 | 6 | 21.4 | 18.21 | |
| XGBoost-MordredInput representation=Mordred2026.04 | 6 | 21.4 | 18.64 | |
| fastprop2026.04 | 5 | 8.6 | 15.98 | |
| PCA MLP PrefittedConfig=Prefitted2026.04 | 5 | 8.6 | 18.74 | |
| fastprop2026.04 | 5 | 17.9 | 15.57 | |
| PCA MLP Prefitted2026.04 | 5 | 17.9 | 18.36 | |
| PCA MLP2026.04 | 5 | 17.9 | 18.61 | |
| TabICL-MorganInput representation=Morgan2026.04 | 5 | 17.9 | 19.21 | |
| TabICL-SMI-TEDInput Representation=SMI-TED2026.04 | 4 | 6.9 | 24.09 | |
| Chemprop MordredInput representation=Mordred2026.04 | 4 | 14.3 | 18.79 | |
| RF MorganInput representation=Morgan2026.04 | 4 | 14.3 | 19.25 | |
| TabICL-SMI-TEDInput representation=SMI-TED2026.04 | 4 | 14.3 | 23.18 | |
| TabPFN-SMI-TEDInput Representation=SMI-TED2026.04 | 3 | 5.2 | 24.45 | |
| TabPFN-SMI-TEDInput representation=SMI-TED2026.04 | 3 | 10.7 | 23.86 | |
| Chemprop2026.04 | 2 | 3.4 | 21.74 | |
| Chemprop2026.04 | 2 | 7.1 | 19.25 | |
| MolCLR2026.04 | 1 | 1.7 | 25.81 | |
| MolCLR2026.04 | 1 | 3.6 | 24.61 |