Index

MLFF model

  • Number of contributions: 116
CategorySub-categoryBenchmarkMethodMetricScoreTeamDatasetSize
AIMLFFmlearn_Mo_energysnap_mlearnMAE0.9078JARVISmlearn_Mo217
AIMLFFmlearn_Cu_forcesmatgl_mlearnMULTIMAE0.017749048098047573Matglmlearn_Cu293
AIMLFFmlearn_Ni_stressesmatgl_pretrainedMULTIMAE38.842144743058384Matglmlearn_Ni294
AIMLFFmlearn_Ni_forcessnap_mlearnMULTIMAE0.06181732186425153JARVISmlearn_Ni294
AIMLFFmlearn_Ge_energyalignnff_mlearn_all_wt1MAE1.5227JARVISmlearn_Ge253
AIMLFFmlearn_Ge_forcesalignnff_mlearn_all_wt1MULTIMAE0.07201822622548142JARVISmlearn_Ge253
AIMLFFmlearn_Li_stressesmatgl_pretrainedMULTIMAE4.565046531310405Matglmlearn_Li270
AIMLFFmlearn_Li_energysnap_mlearnMAE0.1017JARVISmlearn_Li270
AIMLFFmlearn_Cu_energymatgl_mlearnMAE0.8696Matglmlearn_Cu293
AIMLFFmlearn_Mo_forcessnap_mlearnMULTIMAE0.18434104563832232JARVISmlearn_Mo217
AIMLFFmlearn_Li_forcessnap_mlearnMULTIMAE0.02733803004038507JARVISmlearn_Li270
AIMLFFmlearn_Si_stressesmatgl_pretrainedMULTIMAE12.36785590532479Matglmlearn_Si239
AIMLFFmlearn_Si_energymatgl_mlearnMAE0.8759Matglmlearn_Si239
AIMLFFmlearn_Mo_stressesalignnff_mlearn_all_wt1MULTIMAE44.869556923541296JARVISmlearn_Mo217
AIMLFFmlearn_Ge_stressesmatgl_pretrainedMULTIMAE9.843460590954754Matglmlearn_Ge253
AIMLFFmlearn_Ni_energysnap_mlearnMAE1.6742JARVISmlearn_Ni294
AIMLFFmlearn_Si_forcesalignnff_mlearn_wt1MULTIMAE0.06942387617720659JARVISmlearn_Si239
AIMLFFmlearn_Cu_stressesmatgl_pretrainedMULTIMAE29.08125948284852Matglmlearn_Cu293
AIMLFFalignn_ff_db_energyalignnff_pretrained_wt0.1MAE0.0342JARVISalignn_ff_db307111
AIMLFFalignn_ff_db_forcesm3gnet_pretrainedMULTIMAE0.08448789649784973M3GNETalignn_ff_db307111