Molecular Property Prediction on Polaris & MoleculeACE Aggregate (58 tasks)

50Win CountTabPFN-CheMeleonFP

Evaluation Results

Method
TabPFN-CheMeleonFP2026.04	50	86.2	4.52
TabICL-CheMeleonFP2026.04	43	74.1	6.31
TabPFN-Mordred2026.04	39	67.2	5.71
TabPFN-RDKit2d2026.04	33	56.9	5.31
TabICL-RDKit2d2026.04	32	55.2	5.9
TabICL-CLAMP2026.04	25	43.1	8.86
CheMeleon2026.04	24	41.4	8.84
TabICL-Mordred2026.04	22	37.9	8.35
TabPFN-CLAMP2026.04	22	37.9	8.91
TabPFN-CheMeleonFP2026.04	20	71.4	7.11
TabICL-CheMeleonFP2026.04	20	71.4	8.79
minimol2026.04	19	32.8	11.43
TabPFN-Mordred2026.04	19	67.9	6.75
TabPFN-RDKit2d2026.04	18	64.3	5.43
TabICL-RDKit2d2026.04	16	57.1	6.54
TabICL-CLAMP2026.04	16	57.1	9.79
TabPFN-CLAMP2026.04	15	53.6	9.54
minimol2026.04	15	53.6	11
RF2026.04	14	50	12.29
TabPFN-Morgan2026.04	13	22.4	12.98
CheMeleon2026.04	13	46.4	10.25
RF Morgan Physchem2026.04	13	46.4	11.04
TabICL-Mordred2026.04	12	42.9	9.39
CatBoost-Mordred2026.04	11	19	12.05
RF Morgan2026.04	10	17.2	15.12
CatBoost-Mordred2026.04	10	35.7	12.25
TabICL-Morgan2026.04	8	13.8	17.64
TabPFN-Morgan2026.04	7	25	16.07
MLP PLR Pretrained2026.04	6	10.3	16.6
RF Mordred2026.04	6	10.3	17.5
MoLFormer2026.04	6	10.3	18.36
XGBoost-Mordred2026.04	6	10.3	19.53
MLP PLR Pretrained2026.04	6	21.4	14.39
RF Mordred2026.04	6	21.4	17.86
MoLFormer2026.04	6	21.4	18.21
XGBoost-Mordred2026.04	6	21.4	18.64
fastprop2026.04	5	8.6	15.98
PCA MLP 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-Morgan2026.04	5	17.9	19.21
TabICL-SMI-TED2026.04	4	6.9	24.09
Chemprop Mordred2026.04	4	14.3	18.79
RF Morgan2026.04	4	14.3	19.25
TabICL-SMI-TED2026.04	4	14.3	23.18
TabPFN-SMI-TED2026.04	3	5.2	24.45
TabPFN-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