# Constrained Property Optimization on ZINC250K Source: [Constrained Property Optimization on ZINC250K]() Collection index: [llms.txt]() Data updated: 2026-02-26T05:47:02.857Z Evaluation of model performance on the constrained property optimization task using the ZINC250K dataset, measured by Improvement and Success rates. A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage. | Scope | Recorded value | | --- | --- | | Task | Constrained Property Optimization | | Dataset (including any stated split) | ZINC250K | | Metric | Improvement | | Unit | SCALAR | | Direction | Higher is better | | Results loaded | 27 of 27 | | Coverage | All results currently returned for this benchmark | Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol. ## Metrics - [Improvement](): Higher is better; unit: SCALAR. - [Success Rate](): Higher is better; unit: PERCENT. ## Recorded results | Method | Improvement | Result date | Report paper | | --- | --- | --- | --- | | PS-VAE | 6.42 | Not recorded | 68fa5f351e209131ce9e83c3 | | GraphDF | 5.62 | Not recorded | 68fa5f351e209131ce9e83c3 | | GraphAF | 4.99 | Not recorded | 68fa5f351e209131ce9e83c3 | | F-VAE\* | 4.82 | Not recorded | 68fa5f351e209131ce9e83c3 | | PS-VAE | 4.19 | Not recorded | 68fa5f351e209131ce9e83c3 | | GraphDF | 4.13 | Not recorded | 68fa5f351e209131ce9e83c3 | | MARS | 4.13 | Not recorded | 68fa5f351e209131ce9e83c3 | | GCPN | 4.12 | Not recorded | 68fa5f351e209131ce9e83c3 | | GraphAF | 3.74 | Not recorded | 68fa5f351e209131ce9e83c3 | | F-VAE\* | 3.6 | Not recorded | 68fa5f351e209131ce9e83c3 | | H-VAE\* | 3.42 | Not recorded | 68fa5f351e209131ce9e83c3 | | GA | 3.04 | Not recorded | 68fa5f351e209131ce9e83c3 | | H-VAE\* | 2.68 | Not recorded | 68fa5f351e209131ce9e83c3 | | PS-VAE | 2.52 | Not recorded | 68fa5f351e209131ce9e83c3 | | GCPN | 2.49 | Not recorded | 68fa5f351e209131ce9e83c3 | | MARS | 2.41 | Not recorded | 68fa5f351e209131ce9e83c3 | | F-VAE\* | 2.4 | Not recorded | 68fa5f351e209131ce9e83c3 | | GA | 2.34 | Not recorded | 68fa5f351e209131ce9e83c3 | | GraphAF | 1.95 | Not recorded | 68fa5f351e209131ce9e83c3 | | H-VAE\* | 1.9 | Not recorded | 68fa5f351e209131ce9e83c3 | | GraphDF | 1.72 | Not recorded | 68fa5f351e209131ce9e83c3 | | JT-VAE | 1.68 | Not recorded | 68fa5f351e209131ce9e83c3 | | GA | 1.35 | Not recorded | 68fa5f351e209131ce9e83c3 | | MARS | 1.21 | Not recorded | 68fa5f351e209131ce9e83c3 | | JT-VAE | 0.84 | Not recorded | 68fa5f351e209131ce9e83c3 | | GCPN | 0.79 | Not recorded | 68fa5f351e209131ce9e83c3 | | JT-VAE | 0.21 | Not recorded | 68fa5f351e209131ce9e83c3 | ### PS-VAE Improvement: 6.42. Result ID: 698bbeb87a967eddb7710b41. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### GraphDF Improvement: 5.62. Result ID: 698bbeb87a967eddb7710b32. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### GraphAF Improvement: 4.99. Result ID: 698bbeb87a967eddb7710b2f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### F-VAE\* Improvement: 4.82. Result ID: 698bbeb87a967eddb7710b3e. [Reporting paper]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### PS-VAE Improvement: 4.19. Result ID: 698bbeb87a967eddb7710b42. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### GraphDF Improvement: 4.13. Result ID: 698bbeb87a967eddb7710b33. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### MARS Improvement: 4.13. Result ID: 698bbeb87a967eddb7710b38. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### GCPN Improvement: 4.12. Result ID: 698bbeb87a967eddb7710b2c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### GraphAF Improvement: 3.74. Result ID: 698bbeb87a967eddb7710b30. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### F-VAE\* Improvement: 3.6. Result ID: 698bbeb87a967eddb7710b3f. [Reporting paper]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### H-VAE\* Improvement: 3.42. Result ID: 698bbeb87a967eddb7710b3b. [Reporting paper]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### GA Improvement: 3.04. Result ID: 698bbeb87a967eddb7710b35. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### H-VAE\* Improvement: 2.68. Result ID: 698bbeb87a967eddb7710b3c. [Reporting paper]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### PS-VAE Improvement: 2.52. Result ID: 698bbeb87a967eddb7710b43. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. ### GCPN Improvement: 2.49. Result ID: 698bbeb87a967eddb7710b2d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### MARS Improvement: 2.41. Result ID: 698bbeb87a967eddb7710b39. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### F-VAE\* Improvement: 2.4. Result ID: 698bbeb87a967eddb7710b40. [Reporting paper]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. ### GA Improvement: 2.34. Result ID: 698bbeb87a967eddb7710b36. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### GraphAF Improvement: 1.95. Result ID: 698bbeb87a967eddb7710b31. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. ### H-VAE\* Improvement: 1.9. Result ID: 698bbeb87a967eddb7710b3d. [Reporting paper]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. ### GraphDF Improvement: 1.72. Result ID: 698bbeb87a967eddb7710b34. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. ### JT-VAE Improvement: 1.68. Result ID: 698bbeb87a967eddb7710b29. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.2}. This record does not assert independent reproduction. ### GA Improvement: 1.35. Result ID: 698bbeb87a967eddb7710b37. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. ### MARS Improvement: 1.21. Result ID: 698bbeb87a967eddb7710b3a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. ### JT-VAE Improvement: 0.84. Result ID: 698bbeb87a967eddb7710b2a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.4}. This record does not assert independent reproduction. ### GCPN Improvement: 0.79. Result ID: 698bbeb87a967eddb7710b2e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. ### JT-VAE Improvement: 0.21. Result ID: 698bbeb87a967eddb7710b2b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"delta":0.6}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.