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Molecular Classification on MoleculeNet

0.857BACE

Uni-Mol

Updated 4d ago

Evaluation Results

Method	Links
Uni-Mol 2022.11		0.857	0.729	0.919	0.808	0.659	0.796	0.77
MI-MoE-GIN 2026.01		0.8515	0.9046	0.8904	-	0.6072	0.8039	0.8115
HiGNN 2026.01		0.8454	0.8612	0.7954	-	0.6028	0.8157	0.7841
Uni-Mol 2026.01		0.8357	0.8786	0.8073	-	0.6123	0.814	0.7896
MolCLR 2026.01		0.8284	0.8766	0.8574	-	0.5813	0.7843	0.7856
HiMol 2026.01		0.8244	0.8886	0.6619	-	0.5778	0.8081	0.7522
MI-MoE-ViSNet 2026.01		0.8237	0.8868	0.8939	-	0.5972	0.7814	0.7966
MI-MoE-SchNet 2026.01		0.8219	0.8969	0.9271	-	0.6142	0.8043	0.8129
AttentiveFP 2026.01		0.8174	0.8786	0.7565	-	0.5877	0.8223	0.7725
D-MPNN 2026.01		0.816	0.9028	0.8019	-	0.5881	0.8154	0.7848
ChemBERTa 2026.01		0.8141	0.8843	0.839	-	0.608	0.7848	0.786
MI-MoE-PaiNN 2026.01		0.8131	0.8795	0.9085	-	0.5878	0.8069	0.7992
DA-MoE 2026.01		0.796	0.8683	0.7511	-	0.5561	0.74	0.7423
TopExpert 2026.01		0.772	0.8705	0.7582	-	0.5961	0.7768	0.7547
ResGAT 2026.01		0.7549	0.8711	0.8109	-	0.614	0.7983	0.7698
GAL 30B 2022.11		0.727	0.596	0.822	0.759	0.613	0.685	0.687
GAL 120B 2022.11		0.617	0.661	0.826	0.745	0.632	0.689	0.69
GAL 6.7B 2022.11		0.584	0.535	0.784	0.722	0.559	0.639	0.64
GAL 1.3B 2022.11		0.576	0.604	0.589	0.724	0.54	0.606	0.619
GAL 125M 2022.11		0.561	0.393	0.518	0.702	0.559	0.543	0.581