Conditional 3D Molecular Graph Generation on QM9 In-Distribution (ID)
41Polarizability (alpha) (Bohr^3)Random
Evaluation Results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| RandomMethod Category=Random Sampler2025.10 | 41 | 193.36 | 103.3 | 121.83 | 8.4 | 13.56 | 6.3 | |
| EDMMethod Category=Diffusion2025.10 | 20.15 | 287 | 158.7 | 166.2 | 7.01 | 13.63 | 7.6 | |
| SVDDMethod Category=Inference-Time, Backbone=LDM-3DG2025.10 | 16.78 | 115.11 | 60.07 | 67.39 | 6.26 | 13.57 | 5.2 | |
| Best-of-NMethod Category=Inference-Time, Backbone=LDM-3DG2025.10 | 16.23 | 109.97 | 58.11 | 67.08 | 6.27 | 13.54 | 4.2 | |
| Beam SearchMethod Category=Inference-Time, Backbone=LDM-3DG2025.10 | 16.04 | 108.06 | 57.14 | 66.05 | 6.29 | 13.58 | 3.7 | |
| LDM–3DGMethod Category=Diffusion2025.10 | 15.56 | 107.14 | 54.62 | 63.08 | 6.33 | 13.66 | 4.9 | |
| TAGMolMethod Category=Inference-Time, Backbone=LDM-3DG2025.10 | 15.33 | 100.19 | 55.09 | 63.06 | 6.13 | 13.47 | 2.7 | |
| TreeDiffMethod Category=Inference-Time, Backbone=LDM-3DG2025.10 | 14.92 | 95.21 | 61.55 | 60.19 | 6.07 | 13.41 | 1.4 |