Molecular Energy Prediction on QM9 (test)
385.743Energy (Hartrees)GeoTDM
Evaluation Results
| Method | Links | |
|---|---|---|
| GeoTDMSMILES=C#CCCC@HOCC2026.04 | 385.743 | |
| GeoTDMSMILES=CCC@HCC(C)C2026.04 | 386.846 | |
| GeoTDMSMILES=CCCC@@(CC)OC2026.04 | 387.954 | |
| EGInterpolatorSMILES=C#CCCC@HOCC2026.04 | 388.225 | |
| GTSMILES=C#CCCC@HOCC2026.04 | 388.299 | |
| EGInterpolatorSMILES=CCC@HCC(C)C2026.04 | 389.547 | |
| GTSMILES=CCC@HCC(C)C2026.04 | 389.583 | |
| EGInterpolatorSMILES=CCCC@@(CC)OC2026.04 | 390.753 | |
| GTSMILES=CCCC@@(CC)OC2026.04 | 390.78 | |
| GeoTDMSMILES=CCOCCCN1CC12026.04 | 402.751 | |
| GeoTDMSMILES=COCCC[C@H]1CN1C2026.04 | 403.101 | |
| EGInterpolatorSMILES=CCOCCCN1CC12026.04 | 405.387 | |
| EGInterpolatorSMILES=COCCC[C@H]1CN1C2026.04 | 405.463 | |
| GTSMILES=COCCC[C@H]1CN1C2026.04 | 405.507 | |
| GTSMILES=CCOCCCN1CC12026.04 | 405.525 | |
| GeoTDMSMILES=CCO[C@H]1C@@H[C@H]1CO2026.04 | 423.153 | |
| GeoTDMSMILES=CCC[C@@H]1C@HC[C@@H]1O2026.04 | 423.323 | |
| EGInterpolatorSMILES=CCO[C@H]1C@@H[C@H]1CO2026.04 | 425.326 | |
| GTSMILES=CCO[C@H]1C@@H[C@H]1CO2026.04 | 425.364 | |
| EGInterpolatorSMILES=CCC[C@@H]1C@HC[C@@H]1O2026.04 | 425.372 | |
| GTSMILES=CCC[C@@H]1C@HC[C@@H]1O2026.04 | 425.413 | |
| GeoTDMSMILES=CC(CO)(CO)CC#N2026.04 | 438.206 | |
| GeoTDMSMILES=COC[C@@]1(CO)N[C@H]1C2026.04 | 439.407 | |
| EGInterpolatorSMILES=CC(CO)(CO)CC#N2026.04 | 440.249 | |
| GTSMILES=CC(CO)(CO)CC#N2026.04 | 440.287 | |
| EGInterpolatorSMILES=COC[C@@]1(CO)N[C@H]1C2026.04 | 441.364 | |
| GTSMILES=COC[C@@]1(CO)N[C@H]1C2026.04 | 441.428 | |
| GeoTDMSMILES=CC(=O)C@HCCO2026.04 | 458.121 | |
| EGInterpolatorSMILES=CC(=O)C@HCCO2026.04 | 460.14 | |
| GTSMILES=CC(=O)C@HCCO2026.04 | 460.165 |