# Molecular system generation on Alanine-Dipeptide Source: [Molecular system generation on Alanine-Dipeptide]() Collection index: [llms.txt]() Data updated: 2026-06-02T10:27:02.112Z Evaluation of model performance on generating molecular systems for the Alanine Dipeptide configuration, measured using statistical divergence metrics like PMF squared error and JS divergence. 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 system generation | | Dataset (including any stated split) | Alanine-Dipeptide | | Metric | PMF Squared Error | | Unit | SCALAR | | Direction | Lower is better | | Results loaded | 36 of 36 | | 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 - [PMF Squared Error](): Lower is better; unit: SCALAR. - [JS Divergence](): Lower is better; unit: SCALAR. ## Recorded results | Method | PMF Squared Error | Result date | Report paper | | --- | --- | --- | --- | | Mixture | 0.058 | Not recorded | 6a1e6400dbd7150506f85589 | | SSFM | 0.062 | Not recorded | 6a1e6400dbd7150506f85589 | | Both | 0.065 | Not recorded | 6a1e6400dbd7150506f85589 | | Diffusion | 0.066 | Not recorded | 6a1e6400dbd7150506f85589 | | SSFM | 0.067 | Not recorded | 6a1e6400dbd7150506f85589 | | Two-for-One | 0.068 | Not recorded | 6a1e6400dbd7150506f85589 | | Fokker-Planck | 0.069 | Not recorded | 6a1e6400dbd7150506f85589 | | Mixture | 0.078 | Not recorded | 6a1e6400dbd7150506f85589 | | Diffusion | 0.084 | Not recorded | 6a1e6400dbd7150506f85589 | | Two-for-One | 0.087 | Not recorded | 6a1e6400dbd7150506f85589 | | Both | 0.087 | Not recorded | 6a1e6400dbd7150506f85589 | | SSFM | 0.089 | Not recorded | 6a1e6400dbd7150506f85589 | | Fokker-Planck | 0.092 | Not recorded | 6a1e6400dbd7150506f85589 | | SSFM | 0.101 | Not recorded | 6a1e6400dbd7150506f85589 | | SSFM | 0.168 | Not recorded | 6a1e6400dbd7150506f85589 | | SSFM | 0.235 | Not recorded | 6a1e6400dbd7150506f85589 | | Both | 3.393 | Not recorded | 6a1e6400dbd7150506f85589 | | Mixture | 3.394 | Not recorded | 6a1e6400dbd7150506f85589 | | Diffusion | 3.4 | Not recorded | 6a1e6400dbd7150506f85589 | | Fokker-Planck | 3.498 | Not recorded | 6a1e6400dbd7150506f85589 | | Two-for-One | 3.564 | Not recorded | 6a1e6400dbd7150506f85589 | | Fokker-Planck | 11.345 | Not recorded | 6a1e6400dbd7150506f85589 | | Diffusion | 11.347 | Not recorded | 6a1e6400dbd7150506f85589 | | Two-for-One | 11.41 | Not recorded | 6a1e6400dbd7150506f85589 | | Mixture | 11.556 | Not recorded | 6a1e6400dbd7150506f85589 | | Both | 11.571 | Not recorded | 6a1e6400dbd7150506f85589 | | Fokker-Planck | 15.475 | Not recorded | 6a1e6400dbd7150506f85589 | | Diffusion | 15.667 | Not recorded | 6a1e6400dbd7150506f85589 | | Fokker-Planck | 15.709 | Not recorded | 6a1e6400dbd7150506f85589 | | Two-for-One | 15.714 | Not recorded | 6a1e6400dbd7150506f85589 | | Two-for-One | 16.682 | Not recorded | 6a1e6400dbd7150506f85589 | | Diffusion | 16.728 | Not recorded | 6a1e6400dbd7150506f85589 | | Both | 17.094 | Not recorded | 6a1e6400dbd7150506f85589 | | Mixture | 17.266 | Not recorded | 6a1e6400dbd7150506f85589 | | Both | 21.83 | Not recorded | 6a1e6400dbd7150506f85589 | | Mixture | 22.07 | Not recorded | 6a1e6400dbd7150506f85589 | ### Mixture PMF Squared Error: 0.058. Result ID: 6a1eafddfbc373592c1980bb. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"1000"}. This record does not assert independent reproduction. ### SSFM PMF Squared Error: 0.062. Result ID: 6a1eafddfbc373592c1980cd. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"1000"}. This record does not assert independent reproduction. ### Both PMF Squared Error: 0.065. Result ID: 6a1eafddfbc373592c1980c7. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"1000"}. This record does not assert independent reproduction. ### Diffusion PMF Squared Error: 0.066. Result ID: 6a1eafddfbc373592c1980b5. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"1000"}. This record does not assert independent reproduction. ### SSFM PMF Squared Error: 0.067. Result ID: 6a1eafddfbc373592c1980cc. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"100"}. This record does not assert independent reproduction. ### Two-for-One PMF Squared Error: 0.068. Result ID: 6a1eafddfbc373592c1980af. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"1000"}. This record does not assert independent reproduction. ### Fokker-Planck PMF Squared Error: 0.069. Result ID: 6a1eafddfbc373592c1980c1. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"1000"}. This record does not assert independent reproduction. ### Mixture PMF Squared Error: 0.078. Result ID: 6a1eafddfbc373592c1980ba. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"100"}. This record does not assert independent reproduction. ### Diffusion PMF Squared Error: 0.084. Result ID: 6a1eafddfbc373592c1980b4. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"100"}. This record does not assert independent reproduction. ### Two-for-One PMF Squared Error: 0.087. Result ID: 6a1eafddfbc373592c1980ae. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"100"}. This record does not assert independent reproduction. ### Both PMF Squared Error: 0.087. Result ID: 6a1eafddfbc373592c1980c6. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"100"}. This record does not assert independent reproduction. ### SSFM PMF Squared Error: 0.089. Result ID: 6a1eafddfbc373592c1980cb. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"20"}. This record does not assert independent reproduction. ### Fokker-Planck PMF Squared Error: 0.092. Result ID: 6a1eafddfbc373592c1980c0. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"100"}. This record does not assert independent reproduction. ### SSFM PMF Squared Error: 0.101. Result ID: 6a1eafddfbc373592c1980ca. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"10"}. This record does not assert independent reproduction. ### SSFM PMF Squared Error: 0.168. Result ID: 6a1eafddfbc373592c1980c9. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"4"}. This record does not assert independent reproduction. ### SSFM PMF Squared Error: 0.235. Result ID: 6a1eafddfbc373592c1980c8. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"2"}. This record does not assert independent reproduction. ### Both PMF Squared Error: 3.393. Result ID: 6a1eafddfbc373592c1980c5. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"20"}. This record does not assert independent reproduction. ### Mixture PMF Squared Error: 3.394. Result ID: 6a1eafddfbc373592c1980b9. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"20"}. This record does not assert independent reproduction. ### Diffusion PMF Squared Error: 3.4. Result ID: 6a1eafddfbc373592c1980b3. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"20"}. This record does not assert independent reproduction. ### Fokker-Planck PMF Squared Error: 3.498. Result ID: 6a1eafddfbc373592c1980bf. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"20"}. This record does not assert independent reproduction. ### Two-for-One PMF Squared Error: 3.564. Result ID: 6a1eafddfbc373592c1980ad. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"20"}. This record does not assert independent reproduction. ### Fokker-Planck PMF Squared Error: 11.345. Result ID: 6a1eafddfbc373592c1980be. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"10"}. This record does not assert independent reproduction. ### Diffusion PMF Squared Error: 11.347. Result ID: 6a1eafddfbc373592c1980b2. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"10"}. This record does not assert independent reproduction. ### Two-for-One PMF Squared Error: 11.41. Result ID: 6a1eafddfbc373592c1980ac. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"10"}. This record does not assert independent reproduction. ### Mixture PMF Squared Error: 11.556. Result ID: 6a1eafddfbc373592c1980b8. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"10"}. This record does not assert independent reproduction. ### Both PMF Squared Error: 11.571. Result ID: 6a1eafddfbc373592c1980c4. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"10"}. This record does not assert independent reproduction. ### Fokker-Planck PMF Squared Error: 15.475. Result ID: 6a1eafddfbc373592c1980bc. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"2"}. This record does not assert independent reproduction. ### Diffusion PMF Squared Error: 15.667. Result ID: 6a1eafddfbc373592c1980b1. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"4"}. This record does not assert independent reproduction. ### Fokker-Planck PMF Squared Error: 15.709. Result ID: 6a1eafddfbc373592c1980bd. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"4"}. This record does not assert independent reproduction. ### Two-for-One PMF Squared Error: 15.714. Result ID: 6a1eafddfbc373592c1980ab. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"4"}. This record does not assert independent reproduction. ### Two-for-One PMF Squared Error: 16.682. Result ID: 6a1eafddfbc373592c1980aa. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"2"}. This record does not assert independent reproduction. ### Diffusion PMF Squared Error: 16.728. Result ID: 6a1eafddfbc373592c1980b0. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"2"}. This record does not assert independent reproduction. ### Both PMF Squared Error: 17.094. Result ID: 6a1eafddfbc373592c1980c3. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"4"}. This record does not assert independent reproduction. ### Mixture PMF Squared Error: 17.266. Result ID: 6a1eafddfbc373592c1980b7. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"4"}. This record does not assert independent reproduction. ### Both PMF Squared Error: 21.83. Result ID: 6a1eafddfbc373592c1980c2. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"2"}. This record does not assert independent reproduction. ### Mixture PMF Squared Error: 22.07. Result ID: 6a1eafddfbc373592c1980b6. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"NFE":"2"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.