Unconditional Molecular Geometry Generation on GEOM Drugs (test)
90Validity RateTabasco
Evaluation results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| TabascoD=-, Mode=Base 502025.10 | 90 | 70.5 | 2.8 | 39.9 | 1.52 | 0.83 | 4.93 | 266.4 | |
| TabascoD=2, Mode=Cache (TS)2025.10 | 90 | 75.5 | 2.99 | 41 | 1.58 | 0.79 | 4.92 | 446.8 | |
| TabascoD=2, Mode=Cache (AB)2025.10 | 90 | 73.2 | 2.91 | 39.8 | 1.52 | 0.81 | 4.91 | 453.4 | |
| SemlaFlowD=-, Mode=Base 1002025.10 | 88 | 108.8 | 2.38 | 69.6 | 1.5 | 0.86 | 4.82 | 11.4 | |
| TabascoD=-, Mode=Base 262025.10 | 88 | 75.2 | 2.96 | 42.6 | 1.63 | 0.92 | 4.92 | 508.4 | |
| SemlaFlowD=2, Mode=Cache (AB)2025.10 | 87 | 96.5 | 2.15 | 62.8 | 1.4 | 0.87 | 4.79 | 22.1 | |
| SemlaFlowD=-, Mode=Base 512025.10 | 86 | 115.5 | 2.51 | 75.9 | 1.63 | 0.88 | 4.82 | 21.9 | |
| SemlaFlowD=2, Mode=Cache (TS)2025.10 | 85 | 103.1 | 2.28 | 67.5 | 1.48 | 0.87 | 4.82 | 21.8 |