MLFF model

• Number of contributions: 119

Category	Sub-category	Benchmark	Method	Metric	Score	Team	Dataset	Size
AI	MLFF	mlearn_Ni_forces	alignnff_fmult_mlearn_only	MULTIMAE	0.0448	JARVIS	mlearn_Ni	294
AI	MLFF	mlearn_Ni_energy	alignnff_mlearn_only	MAE	1.4316	JARVIS	mlearn_Ni	294
AI	MLFF	alignn_ff_db_energy	alignnff_wt0.1	MAE	0.0342	JARVIS	alignn_ff_db	307111
AI	MLFF	mlearn_Li_energy	alignnff_fmult_mlearn_only	MAE	0.2735	JARVIS	mlearn_Li	270
AI	MLFF	mlearn_Cu_energy	alignnff_mlearn_only	MAE	1.0104	JARVIS	mlearn_Cu	293
AI	MLFF	mlearn_Si_forces	alignnff_fmult_mlearn_only	MULTIMAE	0.0885	JARVIS	mlearn_Si	239
AI	MLFF	mlearn_Mo_forces	alignnff_fmult_mlearn_only	MULTIMAE	0.1229	JARVIS	mlearn_Mo	217
AI	MLFF	mlearn_Ge_forces	alignnff_fmult_mlearn_only	MULTIMAE	0.0726	JARVIS	mlearn_Ge	253
AI	MLFF	mlearn_Ge_energy	alignnff_fmult_mlearn_only	MAE	0.9439	JARVIS	mlearn_Ge	253
AI	MLFF	mlearn_Li_forces	alignnff_fmult_mlearn_only	MULTIMAE	0.0339	JARVIS	mlearn_Li	270
AI	MLFF	alignn_ff_db_forces	m3gnet_pretrained	MULTIMAE	0.0887	M3GNET	alignn_ff_db	307111
AI	MLFF	mlearn_Mo_energy	alignnff_fmult_mlearn_only	MAE	1.1066	JARVIS	mlearn_Mo	217
AI	MLFF	mlearn_Si_energy	alignnff_mlearn_only	MAE	1.0688	JARVIS	mlearn_Si	239
AI	MLFF	mlearn_Cu_forces	alignnff_fmult_mlearn_only	MULTIMAE	0.0357	JARVIS	mlearn_Cu	293
AI	MLFF	mlearn_Si_stresses	alignnff_fmult_mlearn_only	MULTIMAE	11.5542	JARVIS	mlearn_Si	239
AI	MLFF	mlearn_Ni_stresses	alignnff_fd	MULTIMAE	31.1771	ALIGNN	mlearn_Ni	294
AI	MLFF	mlearn_Li_stresses	alignnff_fd	MULTIMAE	2.6491	ALIGNN	mlearn_Li	270
AI	MLFF	mlearn_Cu_stresses	alignnff_fd	MULTIMAE	20.0515	ALIGNN	mlearn_Cu	293
AI	MLFF	mlearn_Mo_stresses	alignnff_mlearn_only	MULTIMAE	19.4086	JARVIS	mlearn_Mo	217
AI	MLFF	mlearn_Ge_stresses	alignnff_fd	MULTIMAE	9.0436	ALIGNN	mlearn_Ge	253