Energy and force prediction on acetylacetone 600 K (test)
4.43E-RMSE (meV)ICTP_sym
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| ICTP_symNumber of parameters=27364002024.05 | 4.43 | 22.9 | |
| MACENumber of parameters=28039842024.05 | 4.6 | 22.4 | |
| MACE (re-run)Number of parameters=2803984, training_setup=same as ICTP2024.05 | 4.96 | 23.25 | |
| ICTP_sym+ltNumber of parameters=26480802024.05 | 5.12 | 24.05 | |
| ICTP_fullNumber of parameters=27748002024.05 | 5.39 | 23.21 | |
| NequIPNumber of parameters=31904882024.05 | 6.04 | 27.8 |