3D Molecule Generation on QM9 (test)
100Validity
GeoLDM
Updated 24d ago
Evaluation Results
| Method | Links | |||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2026.03 | 100 | 99.9 | 97.5 | - | 98 | - | - | - | - | - | 0.005 | 0.017 | 0.003 | 0.007 | 0.435 | |
2026.03 | 100 | 99 | 89.2 | - | 92.8 | - | - | - | - | - | 0.021 | 0.012 | 0.006 | 0.005 | 1.56 | |
2023.11 | 99.99 | - | - | - | 99.84 | - | - | - | - | - | - | - | - | - | - | |
2026.03 | 99 | 99.8 | 97.9 | - | 98.5 | - | - | - | - | - | 0.011 | 0.021 | 0.002 | 0.001 | 0.44 | |
| 98.74 | 99.89 | 98.48 | - | 100 | 67.72 | - | - | - | - | - | - | - | - | - | ||
| 98.7 | 99.56 | 91.7 | 83.2 | - | - | - | - | - | - | - | - | - | - | - | ||
2026.03 | 98.7 | 99.2 | 89.3 | - | 92.1 | - | - | - | - | - | 0.023 | 0.029 | 0.009 | 0.003 | 1.96 | |
2026.03 | 98.6 | 99.8 | 97.6 | - | 99.9 | - | - | - | - | - | 0.023 | 0.009 | 0.004 | 0.019 | 0.9 | |
2026.03 | 98.58 | 99.87 | 98.24 | - | 100 | 61.62 | - | - | - | - | - | - | - | - | - | |
2026.03 | 98.4 | 99.8 | 97.4 | - | 98 | - | - | - | - | - | 0.038 | 0.011 | 0.006 | 0.024 | 1.01 | |
2026.03 | 98.4 | 99.8 | 97.4 | - | 99.7 | - | - | - | - | - | 0.037 | 0.011 | 0.006 | 0.022 | 0.99 | |
2026.01 | 98.32 | 99.33 | 93.7 | 95.31 | - | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 98.22 | 99.08 | 93.37 | 92.87 | - | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 97.9 | 99.8 | 97.5 | - | 97.6 | - | - | - | - | - | - | - | - | - | - | |
2023.05 | 97.7 | 99 | 95.2 | 97.7 | - | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 97.6 | - | - | - | 99.89 | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 97.3 | 99.7 | 96.2 | - | - | - | - | - | - | - | - | - | - | - | - | |
2025.12 | 97.1 | 98.9 | 93.2 | - | 81.7 | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 96.9 | 99.3 | 93.3 | - | 95.4 | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 96.3 | 98.9 | 87.7 | - | 98.8 | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 95.31 | 99.08 | 90.87 | 92.96 | - | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 95.3 | 98.8 | 89.9 | - | 99.1 | - | - | - | - | - | - | - | - | - | - | |
| 95.1 | 99.09 | 91.3 | 94.9 | - | - | - | - | - | - | - | - | - | - | - | ||
2026.01 | 95 | 99 | 89.8 | 93.2 | - | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 94.8 | 98.7 | 85.7 | - | 98.4 | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 94.8 | 98.9 | 89.1 | 92.6 | - | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 94.7 | 98.9 | 88.3 | - | 98.7 | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 94.6 | - | - | - | 99.97 | - | - | - | - | - | - | - | - | - | - | |
2025.12 | 94.6 | 98.3 | 87.5 | - | 90.1 | 24.7 | - | - | - | - | - | - | - | - | - | |
2025.12 | 93.9 | 98.1 | 84.2 | - | 88.8 | 63.9 | - | - | - | - | - | - | - | - | - | |
2023.05 | 93.8 | 98.9 | 89.4 | 92.7 | - | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 93.8 | 98.9 | 89.4 | - | 98.8 | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 93.8 | 98.9 | 89.4 | 92.7 | - | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 93.2 | 98.99 | 89.47 | 92.6 | - | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 92.98 | 98.94 | 87.25 | 92.98 | - | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 92.54 | 98.9 | 87 | 92.34 | - | - | - | - | - | - | - | - | - | - | - | |
2023.05 | 92 | 98.8 | 84.6 | 90.7 | - | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 92 | 98.8 | 84.6 | 90.7 | - | - | - | - | - | - | - | - | - | - | - | |
2023.05 | 91.9 | 98.7 | 82 | 90.7 | - | - | - | - | - | - | - | - | - | - | - | |
2024.06 | 91.9 | 98.7 | 82 | - | 98.9 | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 91.9 | 98.7 | 82 | 90.7 | - | - | - | - | - | - | - | - | - | - | - | |
2026.01 | 91.4 | 99.02 | 90.6 | 91.4 | - | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 90.77 | - | - | - | 98.64 | - | - | - | - | - | - | - | - | - | - | |
2023.05 | 90.5 | 97.9 | 78.7 | 89.5 | - | - | - | - | - | - | - | - | - | - | - | |
2023.05 | 90.4 | 97.6 | 71.6 | 89.5 | - | - | - | - | - | - | - | - | - | - | - | |
| 89.84 | 97.72 | 76.23 | 89.84 | - | - | - | - | - | - | - | - | - | - | - | ||
2026.01 | 87.82 | 95.72 | 72.23 | 87.82 | - | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 86.74 | - | - | - | 99.16 | - | - | - | - | - | - | - | - | - | - | |
2023.05 | 85.5 | 95.7 | 68.1 | 80.3 | - | - | - | - | - | - | - | - | - | - | - | |
2023.05 | 83.6 | 97.2 | 70.5 | 82.7 | - | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 83.5 | - | - | - | 97.98 | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 80.13 | - | - | - | 93.2 | - | - | - | - | - | - | - | - | - | - | |
2025.12 | 80.1 | 93.7 | 63.6 | - | 74.7 | 55.1 | - | - | - | - | - | - | - | - | - | |
2023.11 | 77.75 | - | - | - | 99.95 | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 74.97 | - | - | - | 96.73 | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 74.69 | - | - | - | 99.61 | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 68.11 | - | - | - | 97.68 | - | - | - | - | - | - | - | - | - | - | |
2025.12 | 68.1 | 90.8 | 43.9 | - | 66.5 | 41.3 | - | - | - | - | - | - | - | - | - | |
2023.11 | 61.83 | - | - | - | 98.71 | - | - | - | - | - | - | - | - | - | - | |
2023.05 | 40.2 | 85 | 4.9 | 39.4 | - | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 26.92 | - | - | - | 21.69 | - | - | - | - | - | - | - | - | - | - | |
2025.12 | 16.4 | 67.8 | 14 | - | 3.8 | 6.7 | - | - | - | - | - | - | - | - | - | |
2023.11 | 16.36 | - | - | - | 23.29 | - | - | - | - | - | - | - | - | - | - | |
2023.11 | 9.86 | - | - | - | 7.51 | - | - | - | - | - | - | - | - | - | - | |
2023.05 | - | 97 | 63.2 | - | - | - | - | - | - | - | - | - | - | - | - | |
2025.12 | - | 99.3 | 94.8 | - | - | - | 97.5 | 97.5 | 100 | 100 | - | - | - | - | - | |
2025.12 | - | 98.7 | 82 | - | - | - | 91.9 | 90.7 | 86.7 | 86 | - | - | - | - | - | |
2025.12 | - | 98.9 | 89.4 | - | - | - | 93.8 | 92.7 | 91.3 | 90.3 | - | - | - | - | - | |
2025.12 | - | 98.7 | 86 | - | - | - | 94.9 | 93.4 | - | - | - | - | - | - | - | |
2025.12 | - | 99.3 | 93.3 | - | - | - | 96.9 | 92.4 | - | - | - | - | - | - | - | |
2025.12 | - | 98.9 | 89.7 | - | - | - | 96.4 | 94.1 | 92.8 | 91.4 | - | - | - | - | - | |
2025.12 | - | 99 | 89.8 | - | - | - | 95 | 93.2 | - | - | - | - | - | - | - | |
2025.12 | - | 93.7 | 63.6 | - | - | - | 80.1 | 74.7 | 73 | 70.6 | - | - | - | - | - | |
2025.12 | - | 67.8 | 14 | - | - | - | 16.4 | 3.8 | 37.7 | 7.2 | - | - | - | - | - | |
2025.12 | - | 90.8 | 43.9 | - | - | - | 68.1 | 66.5 | 77 | 75.2 | - | - | - | - | - | |
2025.12 | - | 98.9 | 93.2 | - | - | - | 97.1 | 81.7 | - | - | - | - | - | - | - | |
2025.12 | - | 98.3 | 87.5 | - | - | - | 94.6 | 90.1 | 93.7 | 89.1 | - | - | - | - | - | |
2025.12 | - | 98.1 | 84.2 | - | - | - | 93.9 | 88.8 | 94.4 | 90.5 | - | - | - | - | - |