Molecule Generation on LIDDiA 30-target original
100Valid RatePocket2Mol
Evaluation results
| Method | Links | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pocket2MolMetric Type=%m/t or %t2026.04 | 100 | — | 53.4 | 99.7 | 77.4 | 15.3 | 87.6 | 6.4 | 100 | 100 | 27.7 | 23.3 | 23.3 | — | — | — | — | — | — | |
| Pocket2MolMetric Type=#m/t or #t2026.04 | 100 | 100 | 53.4 | 99.7 | 77.4 | 15.3 | 87.6 | 6.4 | 30 | 30 | 8 | 7 | 7 | — | — | — | — | — | — | |
| LIDDiA (DeepSeek)Metric Type=%m/t or %t2026.04 | 100 | — | 96.6 | 97 | 93.5 | 97.3 | 97 | 88.8 | 86.7 | 83.3 | 76.7 | 80 | 73.3 | — | — | — | — | — | — | |
| CACMMetric Type=%m/t or %t2026.04 | 100 | — | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | 100 | — | — | — | — | — | — | |
| DiffSMOLMetric Type=%m/t or %t2026.04 | 99.9 | — | 60 | 72.1 | 7.5 | 24.7 | 98.2 | 0.7 | 100 | 100 | 3.3 | 10 | 0 | — | — | — | — | — | — | |
| DiffSMOLMetric Type=#m/t or #t2026.04 | 99.9 | 100 | 60 | 72.1 | 7.5 | 24.7 | 98.2 | 0.7 | 30 | 30 | 1 | 3 | 0 | — | — | — | — | — | — | |
| ClaudeMetric Type=%m/t or %t2026.04 | 98.7 | — | 96.7 | 98.7 | 92.7 | 63.3 | 46.9 | 30.3 | 30 | 27.7 | 23.3 | 10 | 6.7 | — | — | — | — | — | — | |
| GPT-4oMetric Type=%m/t or %t2026.04 | 97.3 | — | 88.2 | 95.9 | 90.7 | 59.2 | 68.3 | 35 | 90 | 77.7 | 10 | 33.3 | 6.7 | — | — | — | — | — | — | |
| o1Metric Type=%m/t or %t2026.04 | 95.3 | — | 88.3 | 95.3 | 92.6 | 34.6 | 55.9 | 20.7 | 70 | 57.7 | 3.3 | 20 | 0 | — | — | — | — | — | — | |
| o1-miniMetric Type=%m/t or %t2026.04 | 91.3 | — | 90.1 | 90.7 | 81.4 | 47.9 | 64.1 | 28.2 | 67.7 | 43.3 | 0 | 33.3 | 0 | — | — | — | — | — | — | |
| LIDDiA (DeepSeek)Metric Type=#m/t or #t2026.04 | 21 | 21 | 20.2 | 20.2 | 19.7 | 20.6 | 20.3 | 18.7 | 26 | 25 | 23 | 24 | 22 | — | — | — | — | — | — | |
| CACMMetric Type=#m/t or #t2026.04 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 30 | 30 | 30 | 30 | 30 | — | — | — | — | — | — | |
| ClaudeMetric Type=#m/t or #t2026.04 | 4.9 | 5 | 4.8 | 4.9 | 4.6 | 3.2 | 2.4 | 1.5 | 9 | 8 | 7 | 3 | 2 | — | — | — | — | — | — | |
| GPT-4oMetric Type=#m/t or #t2026.04 | 4.9 | 5 | 4.4 | 4.8 | 4.5 | 3 | 3.4 | 1.7 | 27 | 23 | 3 | 10 | 2 | — | — | — | — | — | — | |
| o1Metric Type=#m/t or #t2026.04 | 4.8 | 5 | 4.4 | 4.8 | 4.6 | 1.8 | 2.8 | 1 | 21 | 17 | 1 | 6 | 0 | — | — | — | — | — | — | |
| o1-miniMetric Type=#m/t or #t2026.04 | 4.6 | 5 | 4.5 | 4.5 | 4.1 | 2.3 | 3.2 | 1.4 | 20 | 13 | 0 | 10 | 0 | — | — | — | — | — | — | |
| CACMMetric Type=Returned-pool summary medians2026.04 | — | — | — | — | — | — | — | — | — | — | — | — | — | 85 | 72 | 4 | 2.65 | -7.17 | 89 | |
| ClaudeMetric Type=Returned-pool summary medians2026.04 | — | — | — | — | — | — | — | — | — | — | — | — | — | 77 | 78 | 4 | 2.3 | -6.69 | 76 | |
| DiffSMOLMetric Type=Returned-pool summary medians2026.04 | — | — | — | — | — | — | — | — | — | — | — | — | — | 89 | 55 | 3.43 | 6.15 | -4.23 | 89 | |
| GPT-4oMetric Type=Returned-pool summary medians2026.04 | — | — | — | — | — | — | — | — | — | — | — | — | — | 82 | 74 | 3.99 | 2.16 | -6.56 | 84 | |
| LIDDiA (DeepSeek)Metric Type=Returned-pool summary medians2026.04 | — | — | — | — | — | — | — | — | — | — | — | — | — | 84 | 69 | 3.93 | 2.67 | -7.15 | 81 | |
| o1Metric Type=Returned-pool summary medians2026.04 | — | — | — | — | — | — | — | — | — | — | — | — | — | 80 | 77 | 4 | 2.03 | -5.97 | 80 | |
| o1-miniMetric Type=Returned-pool summary medians2026.04 | — | — | — | — | — | — | — | — | — | — | — | — | — | 79 | 75 | 3.85 | 2.02 | -6.31 | 79 | |
| Pocket2MolMetric Type=Returned-pool summary medians2026.04 | — | — | — | — | — | — | — | — | — | — | — | — | — | 87 | 51 | 4 | 2.46 | -4.74 | 88 |