Molecular Property Prediction on Foundation Models for Property Prediction
842Pre-train Data SizeMolE
Evaluation results
| Method | Links | |
|---|---|---|
| MolEYear=2024, Modalities=G, Pre-training=SSL + multi-task, Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 842 | |
| Uni-Mol2Year=2024, Modalities=3D, Pre-training=SSL (scaled), Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 800 | |
| GIT-MolYear=2024, Modalities=G, I, T, Pre-training=Multimodal LLM, Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 304 | |
| MoleculeSTMYear=2023, Modalities=S, G, T, Pre-training=Contrastive, Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 281 | |
| MolGTYear=2024, Modalities=G, T, Pre-training=SSL multi-view, Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 250 | |
| Uni-MolYear=2023, Modalities=3D, Pre-training=SSL (3D denoising), Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 209 | |
| ChemBERTa-2Year=2022, Modalities=S, Pre-training=MLM + MTR, Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 77 | |
| MultiPUFFINYear=2025, Modalities=S, G, 3D, Aux, Pre-training=Multi-task, Domain heads=✓, Multi-task thermo.=✓, Thermo. consist.=✓2026.03 | 38 | |
| MoleculeFormerYear=2025, Modalities=S, G, Pre-training=Supervised MT, Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 28 | |
| MoMuYear=2022, Modalities=G, T, Pre-training=Contrastive, Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 15 | |
| PUFFINYear=2024, Modalities=G, Pre-training=Transfer learn., Domain heads=✓, Multi-task thermo.=×, Thermo. consist.=✓2026.03 | 6 | |
| ExPUFFINYear=2025, Modalities=G, Pre-training=Supervised, Domain heads=✓, Multi-task thermo.=×, Thermo. consist.=✓2026.03 | 3 | |
| KPGTYear=2022, Modalities=G, Pre-training=SSL + knowledge, Domain heads=×, Multi-task thermo.=×, Thermo. consist.=×2026.03 | 2 |