Model for polymer_genome_gga_gap¶
- Description: This is a benchmark to evaluate how accurately an AI model can predict the GGA band gap of polymers using the Polymer Genome dataset. The dataset contains different types of chemical formula and atomic structures. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy.
Reference(s): https://github.com/atomgptlab/jarvis_leaderboard, https://doi.org/10.1038/sdata.2016.12, https://github.com/atomgptlab/alignn
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| alignn2_radius | polymer_genome | 0.4906 | AtomGPTLab | 1073 | 07-30-2026 | CSV, JSON, run.sh, Info |
| baseline_mean | polymer_genome | 0.787 | AtomGPTLab | 1073 | 07-31-2026 | CSV, JSON, run.sh, Info |
| alignn2_knn | polymer_genome | 0.4806 | AtomGPTLab | 1073 | 07-30-2026 | CSV, JSON, run.sh, Info |