Conformer Generation on GEOM-XL
2.05AMR Recall MeanTorsional Diffusion
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Torsional Diffusion2022.06 | 2.05 | 1.86 | 2.94 | 2.78 | |
| GeoMol2022.06 | 2.47 | 2.39 | 3.3 | 3.15 | |
| RDKit2022.06 | 2.92 | 2.62 | 3.35 | 3.15 |
Loading the SOTA2 catalog…
| Method | Links | ||||
|---|---|---|---|---|---|
| Torsional Diffusion2022.06 | 2.05 | 1.86 | 2.94 | 2.78 | |
| GeoMol2022.06 | 2.47 | 2.39 | 3.3 | 3.15 | |
| RDKit2022.06 | 2.92 | 2.62 | 3.35 | 3.15 |