Research paper
Computational DFTTheoretical| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Count Adsorption Systems | GQD-metal adsorption systems in dataset | 491 | — | |||
| Model R2 | GQD-AdsNet test-set R₂ | 0.906 | — | |||
| Model Rmse | GQD-AdsNet test-set RMSE | 0.134eV | — | |||
| Model Mae | GQD-AdsNet test-set MAE | 0.101eV | — | |||
| Model Mae | GQD-AdsNet ensemble MAE | 0.097eV | — | |||
| Model R2 | GQD-AdsNet ensemble R₂ | 0.907 | — | |||
| Model Speedup Factor | GQD-AdsNet speedup relative to DFT | ~106× | — |
Adsorption of volatiles on dust grains in protoplanetary disks
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Count Adsorption Systems | GQD-metal adsorption systems in dataset | 491 | — | |||
| Model R2 | GQD-AdsNet test-set R₂ | 0.906 | — | |||
| Model Rmse | GQD-AdsNet test-set RMSE | 0.134eV | — | |||
| Model Mae | GQD-AdsNet test-set MAE | 0.101eV | — | |||
| Model Mae | GQD-AdsNet ensemble MAE | 0.097eV | — | |||
| Model R2 | GQD-AdsNet ensemble R₂ | 0.907 | — | |||
| Model Speedup Factor | GQD-AdsNet speedup relative to DFT | ~106× | — |
Adsorption of volatiles on dust grains in protoplanetary disks
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Count Adsorption Systems | GQD-metal adsorption systems in dataset | 491 | — | |||
| Model R2 | GQD-AdsNet test-set R₂ | 0.906 | — | |||
| Model Rmse | GQD-AdsNet test-set RMSE | 0.134eV | — | |||
| Model Mae | GQD-AdsNet test-set MAE | 0.101eV | — | |||
| Model Mae | GQD-AdsNet ensemble MAE | 0.097eV | — | |||
| Model R2 | GQD-AdsNet ensemble R₂ | 0.907 | — | |||
| Model Speedup Factor | GQD-AdsNet speedup relative to DFT | ~106× | — |
Adsorption of volatiles on dust grains in protoplanetary disks
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Count Adsorption Systems | GQD-metal adsorption systems in dataset | 491 | — | |||
| Model R2 | GQD-AdsNet test-set R₂ | 0.906 | — | |||
| Model Rmse | GQD-AdsNet test-set RMSE | 0.134eV | — | |||
| Model Mae | GQD-AdsNet test-set MAE | 0.101eV | — | |||
| Model Mae | GQD-AdsNet ensemble MAE | 0.097eV | — | |||
| Model R2 | GQD-AdsNet ensemble R₂ | 0.907 | — | |||
| Model Speedup Factor | GQD-AdsNet speedup relative to DFT | ~106× | — |
Adsorption of volatiles on dust grains in protoplanetary disks