Index

MLFF model

• Number of contributions: 116

Category	Sub-category	Benchmark	Method	Metric	Score	Team	Dataset	Size
AI	MLFF	mlearn_Ni_energy	snap_mlearn	MAE	1.6742	JARVIS	mlearn_Ni	294
AI	MLFF	mlearn_Ni_forces	snap_mlearn	MULTIMAE	0.06181732186425153	JARVIS	mlearn_Ni	294
AI	MLFF	mlearn_Ge_energy	alignnff_mlearn_all_wt1	MAE	1.5227	JARVIS	mlearn_Ge	253
AI	MLFF	mlearn_Mo_stresses	alignnff_mlearn_all_wt1	MULTIMAE	44.869556923541296	JARVIS	mlearn_Mo	217
AI	MLFF	mlearn_Ge_forces	alignnff_mlearn_all_wt1	MULTIMAE	0.07201822622548142	JARVIS	mlearn_Ge	253
AI	MLFF	mlearn_Cu_forces	matgl_mlearn	MULTIMAE	0.017749048098047573	Matgl	mlearn_Cu	293
AI	MLFF	mlearn_Mo_forces	snap_mlearn	MULTIMAE	0.18434104563832232	JARVIS	mlearn_Mo	217
AI	MLFF	mlearn_Ge_stresses	matgl_pretrained	MULTIMAE	9.843460590954754	Matgl	mlearn_Ge	253
AI	MLFF	mlearn_Ni_stresses	matgl_pretrained	MULTIMAE	38.842144743058384	Matgl	mlearn_Ni	294
AI	MLFF	mlearn_Si_energy	matgl_mlearn	MAE	0.8759	Matgl	mlearn_Si	239
AI	MLFF	mlearn_Cu_stresses	matgl_pretrained	MULTIMAE	29.08125948284852	Matgl	mlearn_Cu	293
AI	MLFF	mlearn_Si_forces	alignnff_mlearn_wt1	MULTIMAE	0.06942387617720659	JARVIS	mlearn_Si	239
AI	MLFF	mlearn_Li_stresses	matgl_pretrained	MULTIMAE	4.565046531310405	Matgl	mlearn_Li	270
AI	MLFF	mlearn_Li_forces	snap_mlearn	MULTIMAE	0.02733803004038507	JARVIS	mlearn_Li	270
AI	MLFF	mlearn_Li_energy	snap_mlearn	MAE	0.1017	JARVIS	mlearn_Li	270
AI	MLFF	mlearn_Mo_energy	snap_mlearn	MAE	0.9078	JARVIS	mlearn_Mo	217
AI	MLFF	mlearn_Si_stresses	matgl_pretrained	MULTIMAE	12.36785590532479	Matgl	mlearn_Si	239
AI	MLFF	mlearn_Cu_energy	matgl_mlearn	MAE	0.8696	Matgl	mlearn_Cu	293
AI	MLFF	alignn_ff_db_energy	alignnff_pretrained_wt0.1	MAE	0.0342	JARVIS	alignn_ff_db	307111
AI	MLFF	alignn_ff_db_forces	m3gnet_pretrained	MULTIMAE	0.08448789649784973	M3GNET	alignn_ff_db	307111