# Molecular Generation on fa7 (top-hit 5% docking score) Source: [Molecular Generation on fa7 (top-hit 5% docking score)]() Collection index: [llms.txt]() Data updated: 2026-04-03T08:08:31.455Z Evaluation of molecular generation models on the fa7 dataset, specifically measuring performance using 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) | fa7 | | 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 | -11.235 | Not recorded | 697c3b71a8b01e76cc8da770 | | SoftMol | -11.031 | Not recorded | 697c3b71a8b01e76cc8da770 | | f-RAG | -9.899 | Not recorded | 697c3b71a8b01e76cc8da770 | | GEAM | -9.89 | Not recorded | 697c3b71a8b01e76cc8da770 | | ChemBFN | -9.527 | Not recorded | 68fa494e1e209131ce9361cd | | ChemBFN | -9.315 | Not recorded | 68fa494e1e209131ce9361cd | | GenMol | -8.967 | Not recorded | 697c3b71a8b01e76cc8da770 | | FREED | -8.378 | Not recorded | 697c3b71a8b01e76cc8da770 | | FREED | -8.297 | Not recorded | 68fa494e1e209131ce9361cd | | MOOD-S++ | -8.182 | Not recorded | 69cf49810636e5bf4afcda09 | | MOOD | -8.16 | Not recorded | 697c3b71a8b01e76cc8da770 | | MOOD | -8.16 | Not recorded | 68fa494e1e209131ce9361cd | | MOOD | -8.16 | Not recorded | 69cf49810636e5bf4afcda09 | | RationaleRL | -8.129 | Not recorded | 697c3b71a8b01e76cc8da770 | | PS-VAE | -8.028 | Not recorded | 697c3b71a8b01e76cc8da770 | | MARS | -7.839 | Not recorded | 697c3b71a8b01e76cc8da770 | | GDSS | -7.775 | Not recorded | 68fa494e1e209131ce9361cd | | JTVAE | -7.683 | Not recorded | 697c3b71a8b01e76cc8da770 | | GEGL | -7.47 | Not recorded | 697c3b71a8b01e76cc8da770 | | Graph-GA | -7.365 | Not recorded | 697c3b71a8b01e76cc8da770 | | Genetic GFN | -7.288 | Not recorded | 697c3b71a8b01e76cc8da770 | | REINVENT | -7.205 | Not recorded | 697c3b71a8b01e76cc8da770 | | REINVENT | -7.205 | Not recorded | 68fa494e1e209131ce9361cd | | HierVAE | -6.812 | Not recorded | 697c3b71a8b01e76cc8da770 | | HierVAE | -6.812 | Not recorded | 68fa494e1e209131ce9361cd | | GA+D | -6.539 | Not recorded | 697c3b71a8b01e76cc8da770 | | MORLD | -6.263 | Not recorded | 697c3b71a8b01e76cc8da770 | | MORLD | -6.263 | Not recorded | 68fa494e1e209131ce9361cd | | RetMol | -5.448 | Not recorded | 697c3b71a8b01e76cc8da770 | ### SoftMol Top-Hit 5% Docking Score (kcal/mol): -11.235. Result ID: 6998f77e5698665ec45c9b21. [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): -11.031. Result ID: 6998f77e5698665ec45c9b20. [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): -9.899. Result ID: 6998f77e5698665ec45c9b1e. [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): -9.89. Result ID: 6998f77e5698665ec45c9b1d. [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): -9.527. Result ID: 699a89e85698665ec4140345. [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): -9.315. Result ID: 699a89e85698665ec4140346. [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): -8.967. Result ID: 6998f77e5698665ec45c9b1f. [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): -8.378. Result ID: 6998f77e5698665ec45c9b17. [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): -8.297. Result ID: 699a89e85698665ec4140342. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### MOOD-S++ Top-Hit 5% Docking Score (kcal/mol): -8.182. Result ID: 69cf756747f34ce924b92f78. [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): -8.16. Result ID: 6998f77e5698665ec45c9b1a. [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): -8.16. Result ID: 699a89e85698665ec4140344. [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): -8.16. Result ID: 69cf756747f34ce924b92f77. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### RationaleRL Top-Hit 5% Docking Score (kcal/mol): -8.129. Result ID: 6998f77e5698665ec45c9b16. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### PS-VAE Top-Hit 5% Docking Score (kcal/mol): -8.028. Result ID: 6998f77e5698665ec45c9b19. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### MARS Top-Hit 5% Docking Score (kcal/mol): -7.839. Result ID: 6998f77e5698665ec45c9b18. [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): -7.775. Result ID: 699a89e85698665ec4140343. [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): -7.683. Result ID: 6998f77e5698665ec45c9b10. [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): -7.47. Result ID: 6998f77e5698665ec45c9b15. [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): -7.365. Result ID: 6998f77e5698665ec45c9b12. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### Genetic GFN Top-Hit 5% Docking Score (kcal/mol): -7.288. Result ID: 6998f77e5698665ec45c9b1c. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### REINVENT Top-Hit 5% Docking Score (kcal/mol): -7.205. Result ID: 6998f77e5698665ec45c9b0f. [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): -7.205. Result ID: 699a89e85698665ec414033f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### HierVAE Top-Hit 5% Docking Score (kcal/mol): -6.812. Result ID: 6998f77e5698665ec45c9b14. [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): -6.812. Result ID: 699a89e85698665ec4140341. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Sampling steps":"1,000","Representation format":"SELFIES"}. This record does not assert independent reproduction. ### GA+D Top-Hit 5% Docking Score (kcal/mol): -6.539. Result ID: 6998f77e5698665ec45c9b11. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### MORLD Top-Hit 5% Docking Score (kcal/mol): -6.263. Result ID: 6998f77e5698665ec45c9b13. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### MORLD Top-Hit 5% Docking Score (kcal/mol): -6.263. Result ID: 699a89e85698665ec4140340. [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): -5.448. Result ID: 6998f77e5698665ec45c9b1b. [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.