Molecular Generation on QM9 (test)
99.93ValidityMiCaM
Evaluation results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| MiCaMReported Standard Deviation=false2025.02 | 99.93 | 93.89 | 1.045 | — | — | — | 100 | 83.25 | 0.001 | |
| GSDMReported Standard Deviation=false2025.02 | 99.9 | — | 2.65 | — | — | — | 100 | — | 0.003 | |
| CatFlow2024.06 | 99.81 | 99.95 | 0.441 | — | — | — | — | — | — | |
| CatFlowReported Standard Deviation=false2025.02 | 99.81 | 99.95 | 0.441 | — | — | — | 100 | — | — | |
| Cometh2025.02 | 99.59 | 96.75 | 0.248 | — | — | — | 100 | 72.06 | 0.0005 | |
| DeFoG2025.02 | 99.26 | 96.61 | 0.268 | — | — | — | 100 | 72.57 | 0.0005 | |
| Dirichlet FM2024.06 | 99.1 | 98.15 | 0.888 | — | — | — | — | — | — | |
| Digress2024.06 | 99 | 96.2 | — | — | — | — | — | — | — | |
| DiGressReported Standard Deviation=false2025.02 | 99 | 96.66 | 0.36 | — | — | — | 100 | 33.4 | 0.0005 | |
| HOG-Diff2025.02 | 98.74 | 97.14 | 0.172 | — | — | — | 100 | 75.12 | 0.0003 | |
| Datamodel hydrogens explicitly=false2022.03 | 97.7 | — | — | 97.7 | — | — | — | — | — | |
| EDMmodel hydrogens explicitly=true, uses 3D coordinates to derive bonds=true2022.03 | 97.5 | — | — | 94.3 | — | — | — | — | — | |
| GDSS2024.06 | 95.72 | 98.46 | 2.9 | — | — | — | — | — | — | |
| GDSS2025.02 | 95.72 | 98.46 | 2.9 | — | — | — | 100 | 86.27 | 0.003 | |
| Flow Matching2024.06 | 94.1 | 98.2 | 5.155 | — | — | — | — | — | — | |
| GraphDF2025.02 | 93.88 | 98.58 | 10.928 | — | — | — | 100 | 98.54 | 0.064 | |
| EDMmodel hydrogens explicitly=false, uses 3D coordinates to derive bonds=true2022.03 | 91.9 | — | — | 90.7 | — | — | — | — | — | |
| MoFlow2024.06 | 91.36 | 98.65 | 4.467 | — | — | — | — | — | — | |
| MoFlow2025.02 | 91.36 | 98.65 | 4.467 | — | — | — | 100 | 94.72 | 0.017 | |
| GDM-augmodel hydrogens explicitly=false, uses 3D coordinates to derive bonds=true2022.03 | 90.4 | — | — | 89.5 | — | — | — | — | — | |
| GraphArmReported Standard Deviation=false2025.02 | 90.25 | 95.62 | 1.22 | — | — | — | 100 | 70.39 | 0.002 | |
| SPECTREReported Standard Deviation=false2025.02 | 87.3 | 35.7 | 47.96 | — | — | — | 100 | 97.28 | 0.163 | |
| G-Schnetmodel hydrogens explicitly=false, uses 3D coordinates to derive bonds=true2022.03 | 85.5 | — | — | 80.3 | — | — | — | — | — | |
| GTVAEmodel hydrogens explicitly=false, uses 3D coordinates to derive bonds=false2022.03 | 74.6 | — | — | 16.8 | — | — | — | — | — | |
| GraphAF2025.02 | 74.43 | 88.64 | 5.625 | — | — | — | 100 | 86.59 | 0.021 | |
| Set2GraphVAEmodel hydrogens explicitly=false, uses 3D coordinates to derive bonds=false2022.03 | 59.9 | — | — | 56.2 | — | — | — | — | — | |
| Graph VAEmodel hydrogens explicitly=false, uses 3D coordinates to derive bonds=false2022.03 | 55.7 | — | — | 42.3 | — | — | — | — | — | |
| EDP-GNN2024.06 | 47.52 | 99.25 | 2.68 | — | — | — | — | — | — | |
| EDP-GNN2025.02 | 47.52 | 99.25 | 2.68 | — | — | — | 100 | 86.58 | 0.005 | |
| E-NFmodel hydrogens explicitly=false, uses 3D coordinates to derive bonds=true2022.03 | 40.2 | — | — | 39.4 | — | — | — | — | — | |
| GraphEBM2024.06 | 8.22 | 97.9 | 6.143 | — | — | — | — | — | — | |
| GraphEBM2025.02 | 8.22 | 97.9 | 6.143 | — | — | — | 100 | 97.01 | 0.03 | |
| Current SOTAreference=You et al., 20242026.01 | — | — | — | 95.3 | 97.6 | 87.7 | — | — | — | |
| EDM2026.01 | — | — | — | 90.7 | 98.7 | 82.6 | — | — | — | |
| ENF2026.01 | — | — | — | 39.4 | 85 | 4.9 | — | — | — | |
| G-SchNet2026.01 | — | — | — | 80.3 | 95.7 | 68.1 | — | — | — | |
| GDM2026.01 | — | — | — | — | 97 | 63.2 | — | — | — | |
| MolField2026.01 | — | — | — | 91.3 | 97.2 | 83.7 | — | — | — |