Index

Single property classification model

See: https://figshare.com/projects/ALIGNN_models/126478

• Number of contributions: 101

Category	Sub-category	Benchmark	Method	Metric	Score	Team	Dataset	Size
AI	SinglePropertyClass	bacdive_thermophilic	g2p_multitask	ACC	0.9928	JHU	bacdive	13210
AI	SinglePropertyClass	bacdive_clade_acidophilic	g2p_gbm	ACC	0.9787	JHU	bacdive_clade	2550
AI	SinglePropertyClass	bacdive_psychrophilic	g2p_gbm	ACC	0.9725	JHU	bacdive	13058
AI	SinglePropertyClass	bacdive_clade_motility	g2p_rf	ACC	0.9909	JHU	bacdive_clade	2276
AI	SinglePropertyClass	bacdive_clade_anaerobic	g2p_gbm	ACC	0.9804	JHU	bacdive_clade	8068
AI	SinglePropertyClass	bacdive_clade_gram_positive	g2p_rf	ACC	0.9726	JHU	bacdive_clade	4715
AI	SinglePropertyClass	bacdive_anaerobic	g2p_gbm	ACC	0.9778	JHU	bacdive	8068
AI	SinglePropertyClass	bacdive_clade_aerobic	g2p_gbm	ACC	0.9385	JHU	bacdive_clade	7781
AI	SinglePropertyClass	bacdive_aerobic	g2p_gbm	ACC	0.9113	JHU	bacdive	7781
AI	SinglePropertyClass	bacdive_clade_spore_forming	g2p_gbm	ACC	0.9284	JHU	bacdive_clade	3039
AI	SinglePropertyClass	bacdive_spore_forming	g2p_rf	ACC	0.9552	JHU	bacdive	3039
AI	SinglePropertyClass	bacdive_motility	g2p_gbm	ACC	0.9931	JHU	bacdive	2276
AI	SinglePropertyClass	bacdive_acidophilic	g2p_gbm	ACC	0.98	JHU	bacdive	2550
AI	SinglePropertyClass	bacdive_clade_thermophilic	g2p_multitask	ACC	0.989	JHU	bacdive_clade	13210
AI	SinglePropertyClass	bacdive_clade_psychrophilic	g2p_gbm	ACC	0.9756	JHU	bacdive_clade	13058
AI	SinglePropertyClass	bacdive_gram_positive	g2p_rf	ACC	0.9597	JHU	bacdive	4715
AI	SinglePropertyClass	dft_3d_magmom_oszicar	matminer_xgboost	ACC	0.9489	UofT	dft_3d	52210
AI	SinglePropertyClass	dft_3d_spillage	matminer_xgboost	ACC	0.8364	UofT	dft_3d	11375
AI	SinglePropertyClass	dft_3d_mbj_bandgap	matminer_xgboost	ACC	0.9399	UofT	dft_3d	18167
AI	SinglePropertyClass	dft_3d_optb88vdw_bandgap	matminer_xgboost	ACC	0.9361	UofT	dft_3d	55713
AI	SinglePropertyClass	dft_3d_slme	matminer_rf	ACC	0.8422	UofT	dft_3d	9062
AI	SinglePropertyClass	dft_3d_p_Seebeck	matminer_xgboost	ACC	0.9332	UofT	dft_3d	23210
AI	SinglePropertyClass	dft_3d_n_powerfact	matminer_xgboost	ACC	0.8186	UofT	dft_3d	23210