Isomer Discovery on Beyond QM7 (out-of-distribution)
544C3H5NO3 ScoreAV
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| AVTraining type=QM7 multibag, Collection type=Single CP stochastic2026.05 | 544 | 808 | 1,213 | |
| COVARIANTTraining type=Single-bag training (on eval bag), Collection type=Cumulative argmax × 10 seeds2026.05 | 65 | 85 | 118 | |
| ATraining type=QM7 multibag, Collection type=Single CP stochastic2026.05 | 49 | 198 | 145.7 | |
| INTERNALTraining type=Single-bag training (on eval bag), Collection type=Cumulative argmax × 10 seeds2026.05 | 35 | 21 | 58 |