Conformer Generation on QM9 (test)
101Mean Torsional Decorrelation Time (ps)GT MD
Evaluation results
| Method | Links | |
|---|---|---|
| GT MDsource=Ground Truth2026.04 | 101 | |
| EGINTERPOLATOR-CASCGeneration=Original2026.04 | 13.59 | |
| EGINTERPOLATOR-CASCalpha=1, i.i.d. generations=true2026.04 | 5.2 | |
| Shuffled GTmode=shuffled2026.04 | 5.2 | |
| Shuffled Gen.mode=shuffled2026.04 | 5.2 |