# Molecular Inverse Design on QM9 Source: [Molecular Inverse Design on QM9]() Collection index: [llms.txt]() Data updated: 2026-03-10T07:53:33.958Z Evaluation of models performing molecular inverse design tasks on the QM9 dataset, typically measured using Mean Absolute Error (MAE) and Mean Square Error (MS). 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 Inverse Design | | Dataset (including any stated split) | QM9 | | Metric | MAE | | Unit | SCALAR | | Direction | Lower is better | | Results loaded | 30 of 30 | | 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 - [MAE](): Lower is better; unit: SCALAR. - [MSE](): Lower is better; unit: SCALAR. ## Recorded results | Method | MAE | Result date | Report paper | | --- | --- | --- | --- | | L-bound | 0.036 | Not recorded | 69afa57f2d603e6de3e439f9 | | L-bound | 0.039 | Not recorded | 69afa57f2d603e6de3e439f9 | | L-bound | 0.04 | Not recorded | 69afa57f2d603e6de3e439f9 | | L-bound | 0.043 | Not recorded | 69afa57f2d603e6de3e439f9 | | L-bound | 0.065 | Not recorded | 69afa57f2d603e6de3e439f9 | | L-bound | 0.09 | Not recorded | 69afa57f2d603e6de3e439f9 | | ABMS | 0.2449 | Not recorded | 69afa57f2d603e6de3e439f9 | | DSG | 0.2673 | Not recorded | 69afa57f2d603e6de3e439f9 | | EEGSDE | 0.2997 | Not recorded | 69afa57f2d603e6de3e439f9 | | CEDM | 0.3714 | Not recorded | 69afa57f2d603e6de3e439f9 | | ABMS | 0.3778 | Not recorded | 69afa57f2d603e6de3e439f9 | | DSG | 0.3969 | Not recorded | 69afa57f2d603e6de3e439f9 | | ABMS | 0.4182 | Not recorded | 69afa57f2d603e6de3e439f9 | | EEGSDE | 0.445 | Not recorded | 69afa57f2d603e6de3e439f9 | | DSG | 0.4558 | Not recorded | 69afa57f2d603e6de3e439f9 | | EEGSDE | 0.4854 | Not recorded | 69afa57f2d603e6de3e439f9 | | CEDM | 0.6015 | Not recorded | 69afa57f2d603e6de3e439f9 | | CEDM | 0.671 | Not recorded | 69afa57f2d603e6de3e439f9 | | ABMS | 0.7274 | Not recorded | 69afa57f2d603e6de3e439f9 | | EEGSDE | 0.7518 | Not recorded | 69afa57f2d603e6de3e439f9 | | DSG | 0.7811 | Not recorded | 69afa57f2d603e6de3e439f9 | | ABMS | 0.8348 | Not recorded | 69afa57f2d603e6de3e439f9 | | DSG | 0.8447 | Not recorded | 69afa57f2d603e6de3e439f9 | | EEGSDE | 0.9187 | Not recorded | 69afa57f2d603e6de3e439f9 | | CEDM | 1.065 | Not recorded | 69afa57f2d603e6de3e439f9 | | CEDM | 1.123 | Not recorded | 69afa57f2d603e6de3e439f9 | | ABMS | 2.1001 | Not recorded | 69afa57f2d603e6de3e439f9 | | DSG | 2.1919 | Not recorded | 69afa57f2d603e6de3e439f9 | | EEGSDE | 2.4133 | Not recorded | 69afa57f2d603e6de3e439f9 | | CEDM | 2.7804 | Not recorded | 69afa57f2d603e6de3e439f9 | ### L-bound MAE: 0.036. Result ID: 69afcde16dbb7075b957eb6c. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### L-bound MAE: 0.039. Result ID: 69afcde16dbb7075b957eb67. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### L-bound MAE: 0.04. Result ID: 69afcde16dbb7075b957eb53. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### L-bound MAE: 0.043. Result ID: 69afcde16dbb7075b957eb58. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### L-bound MAE: 0.065. Result ID: 69afcde16dbb7075b957eb62. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### L-bound MAE: 0.09. Result ID: 69afcde16dbb7075b957eb5d. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### ABMS MAE: 0.2449. Result ID: 69afcde16dbb7075b957eb66. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Guidance Scale (M)":"3"}. This record does not assert independent reproduction. ### DSG MAE: 0.2673. Result ID: 69afcde16dbb7075b957eb65. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### EEGSDE MAE: 0.2997. Result ID: 69afcde16dbb7075b957eb64. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### CEDM MAE: 0.3714. Result ID: 69afcde16dbb7075b957eb63. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### ABMS MAE: 0.3778. Result ID: 69afcde16dbb7075b957eb6b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Guidance Scale (M)":"3"}. This record does not assert independent reproduction. ### DSG MAE: 0.3969. Result ID: 69afcde16dbb7075b957eb6a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### ABMS MAE: 0.4182. Result ID: 69afcde16dbb7075b957eb61. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Guidance Scale (M)":"3"}. This record does not assert independent reproduction. ### EEGSDE MAE: 0.445. Result ID: 69afcde16dbb7075b957eb69. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### DSG MAE: 0.4558. Result ID: 69afcde16dbb7075b957eb60. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### EEGSDE MAE: 0.4854. Result ID: 69afcde16dbb7075b957eb5f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### CEDM MAE: 0.6015. Result ID: 69afcde16dbb7075b957eb68. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### CEDM MAE: 0.671. Result ID: 69afcde16dbb7075b957eb5e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### ABMS MAE: 0.7274. Result ID: 69afcde16dbb7075b957eb57. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Guidance Scale (M)":"3"}. This record does not assert independent reproduction. ### EEGSDE MAE: 0.7518. Result ID: 69afcde16dbb7075b957eb55. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### DSG MAE: 0.7811. Result ID: 69afcde16dbb7075b957eb56. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### ABMS MAE: 0.8348. Result ID: 69afcde16dbb7075b957eb52. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Guidance Scale (M)":"3"}. This record does not assert independent reproduction. ### DSG MAE: 0.8447. Result ID: 69afcde16dbb7075b957eb51. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### EEGSDE MAE: 0.9187. Result ID: 69afcde16dbb7075b957eb50. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### CEDM MAE: 1.065. Result ID: 69afcde16dbb7075b957eb4f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### CEDM MAE: 1.123. Result ID: 69afcde16dbb7075b957eb54. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### ABMS MAE: 2.1001. Result ID: 69afcde16dbb7075b957eb5c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Guidance Scale (M)":"3"}. This record does not assert independent reproduction. ### DSG MAE: 2.1919. Result ID: 69afcde16dbb7075b957eb5b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### EEGSDE MAE: 2.4133. Result ID: 69afcde16dbb7075b957eb5a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### CEDM MAE: 2.7804. Result ID: 69afcde16dbb7075b957eb59. [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.