# Molecular Generation on jak2 (top-hit 5% docking score) Source: [Molecular Generation on jak2 (top-hit 5% docking score)]() Collection index: [llms.txt]() Data updated: 2026-04-03T08:08:31.536Z Evaluation of molecular generation performance on the jak2 dataset, specifically measuring the top-hit 5% docking score. 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 | Molecular Generation | | Dataset (including any stated split) | jak2 | | Metric | Top-Hit 5% Docking Score (kcal/mol) | | Unit | OTHER | | Direction | Lower is better | | Results loaded | 29 of 29 | | 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 - [Top-Hit 5% Docking Score (kcal/mol)](): Lower is better; unit: OTHER. ## Recorded results | Method | Top-Hit 5% Docking Score (kcal/mol) | Result date | Report paper | | --- | --- | --- | --- | | SoftMol | -12.807 | Not recorded | 697c3b71a8b01e76cc8da770 | | SoftMol | -12.58 | Not recorded | 697c3b71a8b01e76cc8da770 | | f-RAG | -11.842 | Not recorded | 697c3b71a8b01e76cc8da770 | | GEAM | -11.816 | Not recorded | 697c3b71a8b01e76cc8da770 | | ChemBFN | -11.69 | Not recorded | 68fa494e1e209131ce9361cd | | ChemBFN | -11.666 | Not recorded | 68fa494e1e209131ce9361cd | | GenMol | -10.417 | Not recorded | 697c3b71a8b01e76cc8da770 | | Graph-GA | -10.167 | Not recorded | 697c3b71a8b01e76cc8da770 | | MOOD-S++ | -10.163 | Not recorded | 69cf49810636e5bf4afcda09 | | MOOD | -10.147 | Not recorded | 697c3b71a8b01e76cc8da770 | | MOOD | -10.147 | Not recorded | 68fa494e1e209131ce9361cd | | MOOD | -10.147 | Not recorded | 69cf49810636e5bf4afcda09 | | FREED | -9.735 | Not recorded | 697c3b71a8b01e76cc8da770 | | FREED | -9.624 | Not recorded | 68fa494e1e209131ce9361cd | | PS-VAE | -9.464 | Not recorded | 697c3b71a8b01e76cc8da770 | | RationaleRL | -9.398 | Not recorded | 697c3b71a8b01e76cc8da770 | | MARS | -9.15 | Not recorded | 697c3b71a8b01e76cc8da770 | | GDSS | -8.926 | Not recorded | 68fa494e1e209131ce9361cd | | JTVAE | -8.885 | Not recorded | 697c3b71a8b01e76cc8da770 | | GA+D | -8.61 | Not recorded | 697c3b71a8b01e76cc8da770 | | GEGL | -8.601 | Not recorded | 697c3b71a8b01e76cc8da770 | | Genetic GFN | -8.539 | Not recorded | 697c3b71a8b01e76cc8da770 | | HierVAE | -8.285 | Not recorded | 697c3b71a8b01e76cc8da770 | | HierVAE | -8.285 | Not recorded | 68fa494e1e209131ce9361cd | | REINVENT | -8.165 | Not recorded | 697c3b71a8b01e76cc8da770 | | REINVENT | -8.165 | Not recorded | 68fa494e1e209131ce9361cd | | MORLD | -7.816 | Not recorded | 697c3b71a8b01e76cc8da770 | | MORLD | -7.816 | Not recorded | 68fa494e1e209131ce9361cd | | RetMol | -7.133 | Not recorded | 697c3b71a8b01e76cc8da770 | ### SoftMol Top-Hit 5% Docking Score (kcal/mol): -12.807. Result ID: 6998f77e5698665ec45c9b59. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"unconstrained":true}. This record does not assert independent reproduction. ### SoftMol Top-Hit 5% Docking Score (kcal/mol): -12.58. Result ID: 6998f77e5698665ec45c9b58. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"unconstrained":false}. This record does not assert independent reproduction. ### f-RAG Top-Hit 5% Docking Score (kcal/mol): -11.842. Result ID: 6998f77e5698665ec45c9b56. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### GEAM Top-Hit 5% Docking Score (kcal/mol): -11.816. Result ID: 6998f77e5698665ec45c9b55. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### ChemBFN Top-Hit 5% Docking Score (kcal/mol): -11.69. Result ID: 699a89e85698665ec414035d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Strategy":"strategy 3","Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### ChemBFN Top-Hit 5% Docking Score (kcal/mol): -11.666. Result ID: 699a89e85698665ec414035e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Strategy":"strategy 4","Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### GenMol Top-Hit 5% Docking Score (kcal/mol): -10.417. Result ID: 6998f77e5698665ec45c9b57. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### Graph-GA Top-Hit 5% Docking Score (kcal/mol): -10.167. Result ID: 6998f77e5698665ec45c9b4a. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### MOOD-S++ Top-Hit 5% Docking Score (kcal/mol): -10.163. Result ID: 69cf756747f34ce924b92f7e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### MOOD Top-Hit 5% Docking Score (kcal/mol): -10.147. Result ID: 6998f77e5698665ec45c9b52. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### MOOD Top-Hit 5% Docking Score (kcal/mol): -10.147. Result ID: 699a89e85698665ec414035c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### MOOD Top-Hit 5% Docking Score (kcal/mol): -10.147. Result ID: 69cf756747f34ce924b92f7d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### FREED Top-Hit 5% Docking Score (kcal/mol): -9.735. Result ID: 6998f77e5698665ec45c9b4f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### FREED Top-Hit 5% Docking Score (kcal/mol): -9.624. Result ID: 699a89e85698665ec414035a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### PS-VAE Top-Hit 5% Docking Score (kcal/mol): -9.464. Result ID: 6998f77e5698665ec45c9b51. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### RationaleRL Top-Hit 5% Docking Score (kcal/mol): -9.398. Result ID: 6998f77e5698665ec45c9b4e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### MARS Top-Hit 5% Docking Score (kcal/mol): -9.15. Result ID: 6998f77e5698665ec45c9b50. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### GDSS Top-Hit 5% Docking Score (kcal/mol): -8.926. Result ID: 699a89e85698665ec414035b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### JTVAE Top-Hit 5% Docking Score (kcal/mol): -8.885. Result ID: 6998f77e5698665ec45c9b48. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### GA+D Top-Hit 5% Docking Score (kcal/mol): -8.61. Result ID: 6998f77e5698665ec45c9b49. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### GEGL Top-Hit 5% Docking Score (kcal/mol): -8.601. Result ID: 6998f77e5698665ec45c9b4d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### Genetic GFN Top-Hit 5% Docking Score (kcal/mol): -8.539. Result ID: 6998f77e5698665ec45c9b54. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### HierVAE Top-Hit 5% Docking Score (kcal/mol): -8.285. Result ID: 6998f77e5698665ec45c9b4c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### HierVAE Top-Hit 5% Docking Score (kcal/mol): -8.285. Result ID: 699a89e85698665ec4140359. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### REINVENT Top-Hit 5% Docking Score (kcal/mol): -8.165. Result ID: 6998f77e5698665ec45c9b47. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### REINVENT Top-Hit 5% Docking Score (kcal/mol): -8.165. Result ID: 699a89e85698665ec4140357. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### MORLD Top-Hit 5% Docking Score (kcal/mol): -7.816. Result ID: 6998f77e5698665ec45c9b4b. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### MORLD Top-Hit 5% Docking Score (kcal/mol): -7.816. Result ID: 699a89e85698665ec4140358. [Reporting paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### RetMol Top-Hit 5% Docking Score (kcal/mol): -7.133. Result ID: 6998f77e5698665ec45c9b53. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.