# Molecular Energy Prediction on QM9 Source: [Molecular Energy Prediction on QM9]() Collection index: [llms.txt]() Data updated: 2026-02-26T05:48:54.971Z Evaluation of models on predicting molecular energy properties using the QM9 dataset, measured using Mean Absolute Error (MAE). 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 energy prediction | | Dataset (including any stated split) | QM9 | | 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. ## Recorded results | Method | MAE | Result date | Report paper | | --- | --- | --- | --- | | PhysNet-ens5 | 0.14 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | PhysNet-ens5 | 0.14 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | PhysNet | 0.19 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | PhysNet | 0.19 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | PhysNet-ens5 | 0.24 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | HIP-NN | 0.256 | Not recorded | 68fa37711e209131ce8b26e6 | | HIP-NN | 0.26 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | HIP-NN | 0.26 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | PhysNet | 0.3 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | SchNet | 0.31 | Not recorded | 68fa37711e209131ce8b26e6 | | SchNet | 0.31 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | enn-s2s-ens5 | 0.33 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | SchNet | 0.34 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | HIP-NN | 0.35 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | MPNN | 0.42 | Not recorded | 68fa37711e209131ce8b26e6 | | SchNet | 0.49 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | DTNN | 0.84 | Not recorded | 68fa37711e209131ce8b26e6 | | DTNN | 0.84 | Not recorded | 68fa3a9a1e209131ce8cbe9b | | DTNN | 0.94 | Not recorded | 68fa3a9a1e209131ce8cbe9b | ### PhysNet-ens5 MAE: 0.14. Result ID: 698c5d3737894ef7d9cddc5b. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Training set size":"110 426"}. This record does not assert independent reproduction. ### PhysNet-ens5 MAE: 0.14. Result ID: 698c5d3737894ef7d9cddc60. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Training set size":"100 000"}. This record does not assert independent reproduction. ### PhysNet MAE: 0.19. Result ID: 698c5d3737894ef7d9cddc5a. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Training set size":"110 426"}. This record does not assert independent reproduction. ### PhysNet MAE: 0.19. Result ID: 698c5d3737894ef7d9cddc5f. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Training set size":"100 000"}. This record does not assert independent reproduction. ### PhysNet-ens5 MAE: 0.24. Result ID: 698c5d3737894ef7d9cddc65. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Training set size":"50 000"}. This record does not assert independent reproduction. ### HIP-NN MAE: 0.256. Result ID: 698b970a7a967eddb76fd968. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"N\_train + N\_validate":"110426"}. This record does not assert independent reproduction. ### HIP-NN MAE: 0.26. Result ID: 698c5d3737894ef7d9cddc59. [Reporting paper]() Recorded evaluation configuration: {"Training set size":"110 426"}. This record does not assert independent reproduction. ### HIP-NN MAE: 0.26. Result ID: 698c5d3737894ef7d9cddc5e. [Reporting paper]() Recorded evaluation configuration: {"Training set size":"100 000"}. This record does not assert independent reproduction. ### PhysNet MAE: 0.3. Result ID: 698c5d3737894ef7d9cddc64. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Training set size":"50 000"}. This record does not assert independent reproduction. ### SchNet MAE: 0.31. Result ID: 698b970a7a967eddb76fd969. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"N\_train + N\_validate":"110426"}. This record does not assert independent reproduction. ### SchNet MAE: 0.31. Result ID: 698c5d3737894ef7d9cddc58. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Training set size":"110 426"}. This record does not assert independent reproduction. ### enn-s2s-ens5 MAE: 0.33. Result ID: 698c5d3737894ef7d9cddc57. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Training set size":"110 426"}. This record does not assert independent reproduction. ### SchNet MAE: 0.34. Result ID: 698c5d3737894ef7d9cddc5d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Training set size":"100 000"}. This record does not assert independent reproduction. ### HIP-NN MAE: 0.35. Result ID: 698c5d3737894ef7d9cddc63. [Reporting paper]() Recorded evaluation configuration: {"Training set size":"50 000"}. This record does not assert independent reproduction. ### MPNN MAE: 0.42. Result ID: 698b970a7a967eddb76fd96a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"N\_train + N\_validate":"110426"}. This record does not assert independent reproduction. ### SchNet MAE: 0.49. Result ID: 698c5d3737894ef7d9cddc62. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Training set size":"50 000"}. This record does not assert independent reproduction. ### DTNN MAE: 0.84. Result ID: 698b970a7a967eddb76fd96b. [Reporting paper]() Recorded evaluation configuration: {"N\_train + N\_validate":"110426"}. This record does not assert independent reproduction. ### DTNN MAE: 0.84. Result ID: 698c5d3737894ef7d9cddc5c. [Reporting paper]() Recorded evaluation configuration: {"Training set size":"100 000"}. This record does not assert independent reproduction. ### DTNN MAE: 0.94. Result ID: 698c5d3737894ef7d9cddc61. [Reporting paper]() Recorded evaluation configuration: {"Training set size":"50 000"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.