Benchmark Sets
Browse retrosynthesis benchmark datasets with ground truth routes
| Name | Description | Targets | Stock |
|---|---|---|---|
Browse retrosynthesis benchmark datasets with ground truth routes
| Name | Description | Targets | Stock |
|---|---|---|---|
| Name | Description | Targets | Stock |
|---|---|---|---|
| mkt-cnv-160 | 160 targets with convergent ground truth routes of variable length with all leaves in buyables. Part of the Procrustes suite. | 160 | ASKCOS Buyables Stock |
| mkt-lin-500 | 500 targets with linear ground truth routes of variable length with all leaves in buyables. Part of the Procrustes suite. | 500 | ASKCOS Buyables Stock |
| ref-lin-600 | 600 targets with linear ground truth routes of variable length. Part of the Procrustes suite. | 600 | n5 Stock |
| ref-cnv-400 | 400 targets with convergent ground truth routes of variable length. Part of the Procrustes suite. | 400 | n5 Stock |
| ref-lng-84 | 84 targets with extra long ground truth routes | 84 | n1+n5 Stock |
| mkt-lin-500-single-gt | 500 targets with linear ground truth routes of variable length with all leaves in buyables. Part of the Procrustes suite. | 500 | ASKCOS Buyables Stock |
| mkt-cnv-160-single-gt | 160 targets with convergent ground truth routes of variable length with all leaves in buyables. Part of the Procrustes suite. | 160 | ASKCOS Buyables Stock |
| uspto-190 | 190 targets from the test set of the original Retro* | 190 | ASKCOS Buyables Stock |