Molecular Generation on ZINC 250k
1.16FCDGVT
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| GVTClass=VQVAE+AR2025.12 | 1.16 | 99.57 | 97.55 | 0.0689 | — | — | |
| PARDClass=Hybrid2025.12 | 1.98 | 95.23 | 99.99 | — | — | — | |
| GPT-10.7MParams=10.7M, Number of seeds=1, Block family=Standard GPT2026.05 | 2.08 | 99.7 | — | — | — | — | |
| GPT-3.2MParams=3.2M, Number of seeds=3, Block family=Standard GPT2026.05 | 2.36 | 99.4 | — | — | — | — | |
| GPT-813KParams=813K, Number of seeds=3, Block family=Standard GPT2026.05 | 2.44 | 98.7 | — | — | — | — | |
| WS-206KParams=206K, Number of seeds=3, Block family=Weight-shared2026.05 | 2.45 | 98 | — | — | — | — | |
| WS-156KParams=156K, Number of seeds=3, Block family=Weight-shared2026.05 | 2.51 | 98.3 | — | — | — | — | |
| GLADClass=Diffusion2025.12 | 2.54 | 81.81 | 100 | 0.002 | — | — | |
| WS-115KParams=115K, Number of seeds=3, Block family=Weight-shared2026.05 | 2.57 | 97.3 | — | — | — | — | |
| WS-82KParams=82K, Number of seeds=3, Block family=Weight-shared2026.05 | 2.66 | 96.2 | — | — | — | — | |
| WS-53KParams=53K, Number of seeds=3, Block family=Weight-shared2026.05 | 2.76 | 95.3 | — | — | — | — | |
| GPT-527KParams=527K, Number of seeds=3, Block family=Standard GPT2026.05 | 3.01 | 87.6 | — | — | — | — | |
| GPT-419KParams=419K, Number of seeds=3, Block family=Standard GPT2026.05 | 3.03 | 84.8 | — | — | — | — | |
| WS-31KParams=31K, Number of seeds=3, Block family=Weight-shared2026.05 | 3.1 | 91.7 | — | — | — | — | |
| LO-ARM2026.05 | 3.229 | 96.7 | 100 | — | — | — | |
| DGAEClass=Hybrid2025.12 | 4.4 | 77.9 | 99.94 | 0.007 | — | — | |
| WS-15KParams=15K, Number of seeds=3, Block family=Weight-shared2026.05 | 4.57 | 81.2 | — | — | — | — | |
| GPT-111KParams=111K, Number of seeds=1, Block family=Standard GPT2026.05 | 4.58 | 62.1 | — | — | — | — | |
| DiGressClass=Diffusion2025.12 | 4.88 | 84.94 | 99.21 | 0.0088 | — | — | |
| SwinGNNClass=Diffusion2025.12 | 5.219 | 87.74 | 99.98 | 0.0075 | — | — | |
| FLDDT=1002026.05 | 8.487 | 97.79 | 100 | — | — | — | |
| FLDDT=102026.05 | 10.414 | 96.77 | 100 | — | — | — | |
| GDSSClass=Diffusion2025.12 | 11.398 | 97.35 | 99.76 | 0.018 | — | — | |
| GDSScorrector=WC, sampling=S++2026.04 | 12.7 | — | — | — | 93.15 | 0.012 | |
| CatFlow2026.05 | 13.211 | 99.21 | 100 | — | — | — | |
| Dirichlet FM2026.05 | 14.222 | 97.52 | 99.2 | — | — | — | |
| GDSS2026.05 | 14.656 | 97.01 | 99.64 | — | — | — | |
| GDSScorrector=WC2026.04 | 14.66 | — | — | — | 95.83 | 0.019 | |
| GraphAFClass=Flow-Based2025.12 | 16.023 | 68.47 | 99.01 | 0.044 | — | — | |
| HGDMcorrector=WC, sampling=S++2026.04 | 16.24 | — | — | — | 91.03 | 0.016 | |
| GraphAF2026.04 | 16.289 | — | — | — | 68 | 0.044 | |
| EDP-GNN2026.04 | 16.737 | — | — | — | 82.97 | 0.049 | |
| EDP-GNN2026.05 | 16.737 | 82.97 | 99.79 | — | — | — | |
| GDSScorrector=OC, sampling=S++2026.04 | 16.79 | — | — | — | 59.5 | 0.05 | |
| HGDMcorrector=WC2026.04 | 17.69 | — | — | — | 93.26 | 0.016 | |
| Flow Matching2026.05 | 18.764 | 94.01 | 96.68 | — | — | — | |
| GDSScorrector=OC2026.04 | 20.53 | — | — | — | 41.84 | 0.047 | |
| HGDMcorrector=OC, sampling=S++2026.04 | 20.79 | — | — | — | 67.12 | 0.034 | |
| MoFlow2026.04 | 20.931 | — | — | — | 63.11 | 0.046 | |
| MoFlow2026.05 | 20.931 | 63.11 | 99.99 | — | — | — | |
| HGDMcorrector=OC2026.04 | 21.38 | — | — | — | 66.47 | 0.033 | |
| GraphDF2026.04 | 34.202 | — | — | — | 89.03 | 0.176 | |
| GraphEBM2026.04 | 35.471 | — | — | — | 5.29 | 0.212 | |
| GraphEBM2026.05 | 35.471 | 5.29 | 98.79 | — | — | — | |
| GraphDFClass=Flow-Based2025.12 | 40.51 | 41.84 | 93.75 | 0.354 | — | — | |
| DeFoG2026.02 | — | 99.22 | 99.99 | 0.0008 | — | — | |
| DiGress2026.02 | — | 94.99 | 99.97 | 0.0021 | — | — | |
| EDP-GNN2026.02 | — | 82.97 | 99.79 | 0.0485 | — | — | |
| Flowette2026.02 | — | 99.9 | 100 | 0.0006 | — | — | |
| GBD2026.02 | — | 97.87 | — | 0.0018 | — | — | |
| GDSS2026.02 | — | 97.01 | 99.64 | 0.0195 | — | — | |
| GDSSplus_TF=true2026.02 | — | 96.04 | — | 0.0326 | — | — | |
| GraphARM2026.02 | — | 88.23 | 99.46 | 0.055 | — | — | |
| GraphBFN2026.02 | — | 99.22 | — | 0.0013 | — | — | |
| GruM2026.02 | — | 98.65 | 99.97 | 0.0015 | — | — | |
| SID2026.02 | — | 99.5 | 99.84 | 0.0021 | — | — |