List your company
ResearchFormerly WizWand

Molecular Property Classification on MoleculeNet BACE

88.4ROC AUCMolXPT
39.83252.44165.0577.659Nov 19, 2022Jun 18, 2023Jan 16, 2024Aug 15, 2024Mar 15, 2025Oct 13, 2025May 13, 2026
Updated 5mo ago

Evaluation results

MethodLinks
MolXPTModel Category=Specialist2025.0288.4
MolFormerFine-tuned=true2022.1186.3
Uni-MolPre-training status=W. pre-training2026.0285.7
ChemRL-GEMFine-tuned=true2022.1185.6
Random ForestPre-training strategy=None2026.0585.1
SPMMPre-training=true, Fine-tuned=true2022.1184.8
PretrainGNNFine-tuned=true2022.1184.5
PretrainGNNPre-training status=W. pre-training2026.0284.5
InstructMolModel Category=Specialist2025.0282.1
GCNPre-training strategy=None2026.0581.8
D-MPNN (Chemprop)Pre-training strategy=None2026.0581.2
BioT5+Model Category=Semi-Generalist, Training Task Group=Cls. & Trans., Official Checkpoint=true2025.0281.1
GROVER_largeFine-tuned=true2022.1181
D-MPNNFine-tuned=true2022.1180.9
D-MPNNPre-training status=W/o. pre-training2026.0280.9
Mol-LLM (w/o Graph)Model Category=Generalist2025.0280.8
Mol-LLMModel Category=Generalist2025.0280.5
ChemBERTa-2Fine-tuned=true2022.1179.9
ChemBERTa-2Pre-training strategy=MTR, Pre-training size=77M2026.0579.9
MolCAModel Category=Specialist2025.0279.8
ChemBERTa-2Pre-training strategy=MLM, Pre-training size=5M2026.0579.3
N-GramXGBFine-tuned=true2022.1179.1
SPMM (w/o pre-train)Pre-training=false, Fine-tuned=true2022.1178.7
Attentive FPPre-training status=W/o. pre-training2026.0278.4
ChemBERTa-2Pre-training strategy=MTR, Pre-training size=10M2026.0578.3
ChiDeKPre-training status=W/o. pre-training2026.0278.1
N-GramRFFine-tuned=true2022.1177.9
Chem-GMNetPre-training strategy=MLM, Pre-training size=10M2026.0577.3
Chem-GMNetPre-training strategy=scratch, k=82026.0574.5
ChemBERTa-2Pre-training strategy=MLM, Pre-training size=77M2026.0573.5
ChemBERTa-2Pre-training strategy=MTR, Pre-training size=5M2026.0573.4
GIMLETModel parameters=64M, Number of shots=502024.1272.9
ChemBERTa-2Pre-training strategy=MLM, Pre-training size=10M2026.0572.9
GATModel parameters=1M, Learning paradigm=supervised2024.1269.7
MorpherNumber of shots=502024.1268.58
MoMu2024.1266.56
BioT5+Model Category=Semi-Generalist, Training Task Group=Reg. & React., Official Checkpoint=true2025.0265.5
MorpherNumber of shots=202024.1265.13
GPT-4Model Category=Generalist, Evaluation Setup=zero-shot2025.0262.5
MorpherNumber of shots=102024.1262.31
ChemDFMModel Category=Generalist, Official Checkpoint=true2025.0259.5
GalacticaModel Category=Generalist2025.0258.4
GalacticaModel parameters=1.3B2024.1256.48
3D-MOLMModel Category=Generalist, Official Checkpoint=true2025.0255.5
KVPLM2024.1251.26
LlaSMolModel Category=Generalist, Official Checkpoint=true2025.0246.7
Mol-InstructionsModel Category=Semi-Generalist, Official Checkpoint=true2025.0241.7