De-novo generation on GEOM-Drugs
99.98Atom StabilityMorph
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Morphn_atoms fixed=true, NFE=1002026.06 | 99.98 | 85.66 | 85.16 | 100 | 99.73 | |
| MiDin_atoms fixed=true, NFE=5002026.06 | 99.8 | 91.6 | 77.8 | 100 | 100 | |
| EQGAT-diffn_atoms fixed=true, NFE=5002026.06 | 99.8 | 93.4 | 94.6 | 100 | 99.9 | |
| SemlaFlown_atoms fixed=true, NFE=1002026.06 | 99.8 | 97.3 | 93.9 | 100 | 99.6 | |
| FlowMoln_atoms fixed=true, NFE=1002026.06 | 99 | 67.5 | 51.2 | — | — |