Interatomic Potential Prediction on C10H2 / C10H2+ (test)
0.113Energy RMSE (meV/atom)SO3KRATES
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| SO3KRATESnon-local=false, F=132, nlayers=6, rcut (Å)=5, lmax=3, geom. corr.=True/False, spherical filter=true, beta=0.99, epochs=1k, Bs=1002022.05 | 0.113 | 13.198 | — | |
| SO3KRATESnon-local=true, F=132, nlayers=6, rcut (Å)=5, lmax=3, geom. corr.=True/False, spherical filter=true, beta=0.99, epochs=1k, Bs=1002022.05 | 0.122 | 7.844 | — | |
| SPOOKYNET2022.05 | 0.364 | 5.802 | 0.117 | |
| 4G-BPNN2022.05 | 1.194 | 78 | — | |
| 2G-BPNN2022.05 | 1.619 | 129.5 | 20.08 | |
| 3G-BPNN2022.05 | 2.045 | 231 | 6.577 |