MOF Generation on QMOF (Validity)
59.9ValidityMofasa-opt
Evaluation results
| Method | Links | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mofasa-optSample count (n)=202k, Training dataset Name=QMOF [17], Training dataset Count (n)=14k, Training dataset Validity (%)=80.0, Geometry optimization=true2025.12 | 59.9 | — | — | — | — | — | — | — | — | — | — | — | — | — | — | — | |
| MofasaSample count (n)=202k, Training dataset Name=QMOF [17], Training dataset Count (n)=14k, Training dataset Validity (%)=80.0, Geometry optimization=false2025.12 | 52.9 | — | — | — | — | — | — | — | — | — | — | — | — | — | — | — | |
| ADiTSample count (n)=1k, Training dataset Name=QMOF [17], Training dataset Count (n)=14k, Training dataset Validity (%)=80.02025.12 | 15.7 | — | — | — | — | — | — | — | — | — | — | — | — | — | — | — | |
| ADiTTraining Dataset=QMOF, Epochs=at least 10,0002026.02 | 15.7 | 100 | 99.6 | 8.3 | 23.6 | 1.5 | 1 | 60 | 39.1 | 40 | 100 | 72.9 | 90 | 2.6 | 100 | 7 | |
| ZATOM-1Training Dataset=QMOF, Convergence Status=not fully converged, Epochs=at least 10,0002026.02 | 8.4 | 100 | 100 | 12.8 | 3.2 | 0.2 | 3.1 | 75.3 | 31.5 | 0 | 100 | 88.5 | 80 | 1.9 | 20 | 2.8 |