# Potential energy prediction on Paracetamol Source: [Potential energy prediction on Paracetamol]() Collection index: [llms.txt]() Data updated: 2026-03-27T12:08:15.455Z Evaluation of model performance on predicting the potential energy of the Paracetamol molecule, measured using MAE and RMSE. 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 | Potential energy prediction | | Dataset (including any stated split) | Paracetamol | | Metric | MAE | | Unit | SCALAR | | Direction | Lower is better | | Results loaded | 19 of 19 | | 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. - [RMSE](): Lower is better; unit: SCALAR. ## Recorded results | Method | MAE | Result date | Report paper | | --- | --- | --- | --- | | SO3Net II | 1.4 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | PaiNN | 2.1 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | SO3Net I | 2.2 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | Diff+SVR | 2.235 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | HGLET+SVR | 2.302 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | GHWT+SVR | 2.309 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | GHWT+SVR | 2.624 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | HGLET+SVR | 2.643 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | Diff+SVR | 2.715 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | Diff+SVR | 2.77 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | GHWT+SVR | 2.843 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | HGLET+SVR | 2.896 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | GHWT+SVR | 3.928 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | Diff+SVR | 3.947 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | HGLET+SVR | 3.995 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | Diff+SVR | 4.609 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | HGLET+SVR | 4.723 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | GHWT+SVR | 4.748 | Not recorded | 68fa5e4a1e209131ce9e10d3 | | SchNet | 8.4 | Not recorded | 68fa5e4a1e209131ce9e10d3 | ### SO3Net II MAE: 1.4. Result ID: 69c671f947f34ce924b01f04. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"# Parameters":"341k"}. This record does not assert independent reproduction. ### PaiNN MAE: 2.1. Result ID: 69c671f947f34ce924b01f02. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"# Parameters":"341k"}. This record does not assert independent reproduction. ### SO3Net I MAE: 2.2. Result ID: 69c671f947f34ce924b01f03. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"# Parameters":"283k"}. This record does not assert independent reproduction. ### Diff+SVR MAE: 2.235. Result ID: 69c671f947f34ce924b01ef6. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Combo","# Parameters":"15004"}. This record does not assert independent reproduction. ### HGLET+SVR MAE: 2.302. Result ID: 69c671f947f34ce924b01efb. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Combo","# Parameters":"15004"}. This record does not assert independent reproduction. ### GHWT+SVR MAE: 2.309. Result ID: 69c671f947f34ce924b01f00. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Combo","# Parameters":"15004"}. This record does not assert independent reproduction. ### GHWT+SVR MAE: 2.624. Result ID: 69c671f947f34ce924b01efd. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Edge","# Parameters":"3564"}. This record does not assert independent reproduction. ### HGLET+SVR MAE: 2.643. Result ID: 69c671f947f34ce924b01ef8. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Edge","# Parameters":"3564"}. This record does not assert independent reproduction. ### Diff+SVR MAE: 2.715. Result ID: 69c671f947f34ce924b01ef3. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Edge","# Parameters":"3564"}. This record does not assert independent reproduction. ### Diff+SVR MAE: 2.77. Result ID: 69c671f947f34ce924b01ef4. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Triangle","# Parameters":"5808"}. This record does not assert independent reproduction. ### GHWT+SVR MAE: 2.843. Result ID: 69c671f947f34ce924b01efe. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Triangle","# Parameters":"5808"}. This record does not assert independent reproduction. ### HGLET+SVR MAE: 2.896. Result ID: 69c671f947f34ce924b01ef9. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Triangle","# Parameters":"5808"}. This record does not assert independent reproduction. ### GHWT+SVR MAE: 3.928. Result ID: 69c671f947f34ce924b01eff. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Pyramid","# Parameters":"4752"}. This record does not assert independent reproduction. ### Diff+SVR MAE: 3.947. Result ID: 69c671f947f34ce924b01ef5. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Pyramid","# Parameters":"4752"}. This record does not assert independent reproduction. ### HGLET+SVR MAE: 3.995. Result ID: 69c671f947f34ce924b01efa. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Pyramid","# Parameters":"4752"}. This record does not assert independent reproduction. ### Diff+SVR MAE: 4.609. Result ID: 69c671f947f34ce924b01ef2. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Node","# Parameters":"880"}. This record does not assert independent reproduction. ### HGLET+SVR MAE: 4.723. Result ID: 69c671f947f34ce924b01ef7. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Node","# Parameters":"880"}. This record does not assert independent reproduction. ### GHWT+SVR MAE: 4.748. Result ID: 69c671f947f34ce924b01efc. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Feat":"Node","# Parameters":"880"}. This record does not assert independent reproduction. ### SchNet MAE: 8.4. Result ID: 69c671f947f34ce924b01f01. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"# Parameters":"432k"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.