Material discovery on Matbench Discovery MPtrj
86.3F1 ScoreEquiformerV3
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| EquiformerV3Prediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=true2026.04 | 86.3 | 0.07 | 0.275 | 83 | |
| MatRIS-10M-MPPrediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=false2026.04 | 84.7 | 0.072 | 0.489 | 77.8 | |
| eSEN-30M-MPPrediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=true2026.04 | 83.1 | 0.075 | 0.34 | 79.7 | |
| EquiformerV2Prediction (Direct/Gradient)=Direct, Auxiliary task (DeNS)=true2026.04 | 81.5 | 0.076 | 1.676 | 52.2 | |
| DPA-3.1-MPtrjPrediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=false2026.04 | 80.3 | 0.08 | 0.65 | 71.8 | |
| Eqnorm MPtrjPrediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=false2026.04 | 78.6 | 0.084 | 0.408 | 75.6 | |
| ORB v2 MPtrjPrediction (Direct/Gradient)=Direct, Auxiliary task (DeNS)=false2026.04 | 76.5 | 0.101 | 1.726 | 47 | |
| NequIP-MP-LPrediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=false2026.04 | 76.1 | 0.086 | 0.452 | 73.3 | |
| SevenNet-l3i5Prediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=false2026.04 | 76 | 0.085 | 0.55 | 71.4 | |
| Nequix MPPrediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=false2026.04 | 75.1 | 0.085 | 0.446 | 72.9 | |
| GRACE-2L-MPtrjPrediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=false2026.04 | 69.1 | 0.09 | 0.525 | 68.1 | |
| MACE-MP-0Prediction (Direct/Gradient)=Gradient, Auxiliary task (DeNS)=false2026.04 | 66.9 | 0.091 | 0.682 | 63.7 |