Molecular Property Optimization on QM9 frontier-orbital (test)
0.006Mean Opt ValueTransDLM
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| TransDLM2026.05 | 0.006 | 0.484 | 63.98 | 3.37 | 5 | |
| TransDLM2026.05 | 0.4 | 0.106 | 40.25 | 3.37 | 5 | |
| DST2026.05 | 0.975 | 0.472 | 35 | 2.61 | 4 | |
| DST2026.05 | 1.159 | 1.592 | 94.58 | 2.6 | 3 | |
| SMER-Opt2026.05 | 1.451 | 1.329 | 83.13 | 0.86 | 1 | |
| CMOMO2026.05 | 1.844 | 1.455 | 80 | 27.81 | 3 | |
| CMOMO2026.05 | 2.225 | 4.881 | 98.68 | 30.68 | 1 | |
| DyMol2026.05 | 2.756 | 3.215 | 96.8 | 160.2 | 2 | |
| DyMol2026.05 | 2.756 | 3.215 | 96.8 | 160.2 | 2 | |
| CMOMO2026.05 | 3.316 | 5.02 | 68 | 34.77 | 4 | |
| DyMol2026.05 | 3.336 | 4.268 | 100 | 220.2 | 2 | |
| CMOMO2026.05 | 3.473 | 3.662 | 81.39 | 35.47 | 4 | |
| SMER-Opt2026.05 | 3.682 | 4.163 | 93.06 | 0.25 | 1 | |
| SMER-Opt2026.05 | 4.066 | 3.801 | 94.96 | 0.15 | 1 | |
| DST2026.05 | 4.403 | 3.207 | 98.7 | 1.64 | 2 | |
| DST2026.05 | 4.735 | 2.329 | 97.71 | 3.43 | 2 | |
| SMER-Opt2026.05 | 4.936 | 2.178 | 95.05 | 0.3 | 2 | |
| DyMol2026.05 | 5.273 | 1.809 | 100 | 215.4 | 4 | |
| DST2026.05 | 6.656 | 0.73 | 73.33 | 3.85 | 3 | |
| TransDLM2026.05 | 6.754 | 0.327 | 70.65 | 3.37 | 5 | |
| DyMol2026.05 | 6.893 | 0.189 | 44.4 | 215.4 | 5 | |
| TransDLM2026.05 | 6.971 | 0.117 | 39.14 | 3.37 | 4 | |
| TransDLM2026.05 | 7.211 | 0.739 | 66.46 | 2.3 | 3 | |
| TransDLM2026.05 | 7.218 | 0.76 | 65.55 | 2.3 | 5 | |
| DyMol2026.05 | 7.594 | 1.391 | 45.83 | 220.2 | 4 | |
| DST2026.05 | 7.73 | 0.091 | 42.98 | 1.81 | 4 | |
| SMER-Opt2026.05 | 8.01 | 1.538 | 68.23 | 0.48 | 1 | |
| CMOMO2026.05 | 8.459 | 1.333 | 92.71 | 31.49 | 2 | |
| SMER-Opt2026.05 | 8.518 | 1.559 | 93.26 | 0.06 | 1 | |
| CMOMO2026.05 | 9.387 | 2.169 | 87.47 | 20.8 | 2 |