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ResearchFormerly WizWand

Regression on MoleculeNet Clearance

42.841RMSESPMM
42.370645.545848.72151.8962Nov 19, 2022Jun 18, 2023Jan 16, 2024Aug 15, 2024Mar 15, 2025Oct 13, 2025May 13, 2026
Updated 5mo ago

Evaluation results

MethodLinks
SPMMPre-training=true, Fine-tuned=true2022.1142.841
MolFormerFine-tuned=true2022.1143.175
ChemBERTa-2Pre-training strategy=MTR, Pre-training size=77M2026.0548.515
ChemBERTa-2Pre-training strategy=MTR, Pre-training size=10M2026.0548.934
Chem-GMNetPre-training strategy=scratch, k=82026.0549.36
D-MPNNFine-tuned=true2022.1149.754
D-MPNN (Chemprop)Pre-training strategy=None2026.0549.754
ChemBERTa-2Pre-training strategy=MTR, Pre-training size=5M2026.0550.154
Chem-GMNetPre-training strategy=MLM, Pre-training size=10M2026.0551.11
GCNPre-training strategy=None2026.0551.227
N-GramRFFine-tuned=true2022.1152.077
Random ForestPre-training strategy=None2026.0552.077
ChemBERTa-2Pre-training strategy=MLM, Pre-training size=77M2026.0552.754
SPMM (w/o pre-train)Pre-training=false, Fine-tuned=true2022.1153.544
ChemBERTa-2Pre-training strategy=MLM, Pre-training size=10M2026.0553.859
ChemBERTa-2Pre-training strategy=MLM, Pre-training size=5M2026.0554.601