Molecular Generation on QM9 (Validity, Uniqueness, FCD)
99.85ValidityLO-ARM
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| LO-ARM2026.05 | 99.85 | 98.85 | 0.24 | |
| CatFlow2026.05 | 99.81 | 99.95 | 0.441 | |
| CatFlowNFE=1002026.02 | 99.8 | 99.9 | 0.44 | |
| GruMNFE=1,0002026.02 | 99.7 | — | 0.11 | |
| FLDDT=1002026.05 | 99.67 | 98.93 | 0.328 | |
| DeFoGNFE=5002026.02 | 99.4 | 96.3 | 0.12 | |
| DeFoGNFE=502026.02 | 99.2 | 96.2 | 0.26 | |
| Dirichlet FM2026.05 | 99.1 | 98.15 | 0.888 | |
| FLDDT=102026.05 | 99.08 | 99.95 | 0.385 | |
| Digress2026.05 | 99 | 96.2 | — | |
| CFM ECLDNFE=22026.02 | 97 | 96.6 | 0.52 | |
| CFM ECLDNFE=12026.02 | 95.8 | 89.2 | 2.16 | |
| GDSS2026.05 | 95.72 | 98.46 | 2.9 | |
| GDSSNFE=1,0002026.02 | 95.7 | 98.5 | 2.9 | |
| Flow Matching2026.05 | 94.1 | 98.2 | 5.155 | |
| MoFlowNFE=12026.02 | 91.4 | 98.7 | 4.46 | |
| MoFlow2026.05 | 91.36 | 98.65 | 4.467 | |
| CFM CSDNFE=22026.02 | 91.1 | 97.6 | 0.49 | |
| CFM CSDNFE=12026.02 | 90 | 91.8 | 2.14 | |
| Naive Flow MapNFE=22026.02 | 87.7 | 97.7 | 0.69 | |
| Naive Flow MapNFE=12026.02 | 84.6 | 93 | 2.31 | |
| PairFlowNFE=2, sample_size=1,0242026.02 | 66.9 | 99.4 | — | |
| Set2GraphVAENFE=12026.02 | 59.9 | 93.8 | — | |
| EDP-GNN2026.05 | 47.52 | 99.25 | 2.68 | |
| PairFlowNFE=1, sample_size=1,0242026.02 | 44.3 | 99.5 | — | |
| GraphEBM2026.05 | 8.22 | 97.9 | 6.143 |