MLFF model

  • Number of contributions: 119
CategorySub-categoryBenchmarkMethodMetricScoreTeamDatasetSize
AIMLFFmlearn_Ni_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0448JARVISmlearn_Ni294
AIMLFFmlearn_Ni_energyalignnff_mlearn_onlyMAE1.4316JARVISmlearn_Ni294
AIMLFFalignn_ff_db_energyalignnff_wt0.1MAE0.0342JARVISalignn_ff_db307111
AIMLFFmlearn_Li_energyalignnff_fmult_mlearn_onlyMAE0.2735JARVISmlearn_Li270
AIMLFFmlearn_Cu_energyalignnff_mlearn_onlyMAE1.0104JARVISmlearn_Cu293
AIMLFFmlearn_Si_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0885JARVISmlearn_Si239
AIMLFFmlearn_Mo_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.1229JARVISmlearn_Mo217
AIMLFFmlearn_Ge_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0726JARVISmlearn_Ge253
AIMLFFmlearn_Ge_energyalignnff_fmult_mlearn_onlyMAE0.9439JARVISmlearn_Ge253
AIMLFFmlearn_Li_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0339JARVISmlearn_Li270
AIMLFFalignn_ff_db_forcesm3gnet_pretrainedMULTIMAE0.0887M3GNETalignn_ff_db307111
AIMLFFmlearn_Mo_energyalignnff_fmult_mlearn_onlyMAE1.1066JARVISmlearn_Mo217
AIMLFFmlearn_Si_energyalignnff_mlearn_onlyMAE1.0688JARVISmlearn_Si239
AIMLFFmlearn_Cu_forcesalignnff_fmult_mlearn_onlyMULTIMAE0.0357JARVISmlearn_Cu293
AIMLFFmlearn_Si_stressesalignnff_fmult_mlearn_onlyMULTIMAE11.5542JARVISmlearn_Si239
AIMLFFmlearn_Ni_stressesalignnff_fdMULTIMAE31.1771ALIGNNmlearn_Ni294
AIMLFFmlearn_Li_stressesalignnff_fdMULTIMAE2.6491ALIGNNmlearn_Li270
AIMLFFmlearn_Cu_stressesalignnff_fdMULTIMAE20.0515ALIGNNmlearn_Cu293
AIMLFFmlearn_Mo_stressesalignnff_mlearn_onlyMULTIMAE19.4086JARVISmlearn_Mo217
AIMLFFmlearn_Ge_stressesalignnff_fdMULTIMAE9.0436ALIGNNmlearn_Ge253