Index Single property DFT property prediction Number of contributions: 731 CategorySub-categoryBenchmarkMethodMetricScoreTeamDatasetSizeESSinglePropertyPredictiondft_3d_bandgap_JVASP_890_Geqe_pbe_ccECPMAE0.0495JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1174_GaAsvasp_tbmbjMAE0.199JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_890_Geqmcpack_dmc_pbeMAE2.1838JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_91_Cvasp_optcx13MAE4.0JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_91_Cgpaw_gllbscMAE0.2281GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_1002_Sivasp_scanMAE0.669JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_1174_GaAsqmcpack_dmc_pbeMAE0.9669JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1002_Sigpaw_gllbscMAE0.0048GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_116_MgOvasp_optb88vdwMAE4.33JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_23862_NaClvasp_opt86bMAE0.3JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_17_BNvasp_tbmbjMAE0.085JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_25114_Kvasp_opt86bMAE0.1JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_8158_SiCvasp_tbmbjMAE0.112JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_7762_MgTevasp_tbmbjMAE0.106JARVISdft_3d1ESSinglePropertyPredictionvacancydb_efvasp_optb88vdwMAE0.3026JARVISvacancydb39ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_25180_Cavasp_opt86bMAE0.5JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_32_Al2O3gpaw_gllbscMAE0.488GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_9147_HfO2vasp_tbmbjMAE0.036JARVISdft_3d1ESSinglePropertyPredictiondft_3d_cubic_lattice_param_avasp_optb88vdwMAE0.0491JARVISdft_3d64ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_984_Rhvasp_optb88vdwMAE8.3JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_116_MgOgpaw_gllbscMAE0.6653GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_299_SnSevasp_optb88vdwMAE0.192JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_57_MoSe2gpaw_pbeMAE0.034GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_7630_BAsvasp_optb88vdwMAE0.045JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_7678_MgSevasp_optb88vdwMAE0.353JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_14604_Bavasp_optpbeMAE0.1JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1216_Cu2Ogpaw_gllbscMAE0.9561GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_867_Cuvasp_optb88vdwMAE0.6JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1145_KClvasp_tbmbjMAE0.091JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1315_BaSvasp_tbmbjMAE0.601JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1327_AlPvasp_tbmbjMAE0.063JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1130_LiFgpaw_gllbscMAE0.7701GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1192_CdSevasp_tbmbjMAE0.01JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_113_ZrO2gpaw_gllbscMAE1.2866GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1183_InPvasp_tbmbjMAE0.033JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_39_AlNgpaw_gllbscMAE0.0119GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1300_MgSvasp_tbmbjMAE0.504JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1189_InSbgpaw_ldaMAE0.0238GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_7860_SnTetb3_modelsMAE0.039TB3dft_3d1ESSinglePropertyPredictiondft_3d_bandgapvasp_tbmbjMAE0.4981JARVISdft_3d54ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1294_BaSegpaw_gllbscMAE0.5666GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_75_WSe2gpaw_pbeMAE0.0103GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_7844_AlNvasp_tbmbjMAE0.099JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_8583_AgBrvasp_tbmbjMAE0.194JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_54_MoS2vasp_tbmbjMAE0.047JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1198_ZnTevasp_tbmbjMAE0.157JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_8169_GaNgpaw_gllbscMAE0.1977GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_182_SiCvasp_optcx13MAE7.1JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_8566_AgIvasp_tbmbjMAE0.821JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_25065_Livasp_optcx13MAE0.0JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulusvasp_opt86bMAE4.6619JARVISdft_3d21ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_963_Pdvasp_optcx13MAE5.1JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_95_CdSvasp_tbmbjMAE0.101JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_21208_Srvasp_opt86bMAE0.0JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1954_AgClvasp_tbmbjMAE0.372JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_20326_NaFvasp_opt86bMAE0.5JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_5_TiO2tb3_modelsMAE0.2013TB3dft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_14606_Agvasp_opt86bMAE1.6JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_30_GaNgpaw_gllbscMAE0.3384GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1201_CuClgpaw_gllbscMAE0.708GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_816_Alvasp_optcx13MAE0.2JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1408_AlSbvasp_tbmbjMAE0.087JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_1130_LiFvasp_pbe_mpMAE0.2MPdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_23_CdTevasp_tbmbjMAE0.03JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_14813_Rbvasp_pbe_mpMAE0.1MPdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1702_ZnSgpaw_gllbscMAE0.0562GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_8003_CdSvasp_tbmbjMAE0.02JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1393_GaPvasp_tbmbjMAE0.023JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_8082_SrTiO3tb3_modelsMAE0.6271TB3dft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_72_WS2tb3_modelsMAE0.0674TB3dft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1405_CaOgpaw_gllbscMAE0.4381GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1453_AlCuO2gpaw_gllbscMAE0.2589GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1180_InNvasp_tbmbjMAE0.038JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1267_BaTegpaw_gllbscMAE0.2532GPAWdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_96_ZnSevasp_tbmbjMAE0.19JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_23864_LiClvasp_optb88vdwMAE0.13JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_1312_BPvasp_tbmbjMAE0.186JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_104_TiO2tb3_modelsMAE0.3108TB3dft_3d1ESSinglePropertyPredictiondft_3d_bandgap_JVASP_97_InAsvasp_tbmbjMAE0.022JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_7871_NiOqmcpack_team__dmc_002MAE5.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_92796_La2O3qmcpack_team__dmc_002MAE20.34QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_20290_Sc2O3qmcpack_team__dmc_002MAE29.65QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_1390_SrOqmcpack_team__dmc_002MAE1.69QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_1306_BaOqmcpack_team__dmc_002MAE2.35QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_20793_Y2O3qmcpack_team__dmc_002MAE23.7QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_1405_CaOqmcpack_team__dmc_002MAE0.38QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_7870_MnOqmcpack_team__dmc_002MAE10.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_87128_CoOqmcpack_team__dmc_002MAE1.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_9147_HfO2qmcpack_team__dmc_003MAE8.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_34249_HfO2qmcpack_team__dmc_003MAE55.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_14612_Zrqmcpack_team__dmc_003MAE4.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_350_ZrO2qmcpack_team__dmc_003MAE93.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_14590_Hfqmcpack_team__dmc_003MAE0.4QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_7809_ZrO2qmcpack_team__dmc_003MAE30.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_113_ZrO2qmcpack_team__dmc_003MAE42.0QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_1393_GaPvasp_optb88vdw_linoptMAE0.4888JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_2376_ZnSiP2vasp_optb88vdw_linoptMAE0.1707JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_72_WS2vasp_optb88vdw_dfptMAE2.4098JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_30_GaNvasp_optb88vdw_dfptMAE0.313JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_1408_AlSbvasp_optb88vdw_dfptMAE0.6711JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_1312_BPvasp_optb88vdw_linoptMAE1.8931JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_1327_AlPvasp_optb88vdw_linoptMAE1.0729JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_57695_BNvasp_optb88vdw_dfptMAE0.4967JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelecvasp_optb88vdw_dfptMAE1.0853JARVISdft_3d16ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_3450_TiPbO3vasp_optb88vdw_dfptMAE4.3759JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_1702_ZnSvasp_optb88vdw_dfptMAE1.3908JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_7648_ZnSvasp_optb88vdw_dfptMAE0.3974JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_182_SiCvasp_optb88vdw_linoptMAE0.3837JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_60_Te2Movasp_optb88vdw_linoptMAE0.7269JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_17_BNvasp_optb88vdw_linoptMAE0.307JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_57_MoSe2vasp_optb88vdw_linoptMAE0.5049JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_110_BaTiO3vasp_optb88vdw_dfptMAE5.109JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_2355_ZnGeP2vasp_optb88vdw_dfptMAE0.2855JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_35711_GaSbvasp_optb88vdw_dfptMAE0.84JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_23_CdTevasp_optb88vdw_linoptMAE2.9228JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_39_AlNvasp_optb88vdw_dfptMAE1.1309JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_1240_LiNbO3vasp_optb88vdw_dfptMAE0.7074JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_1327_AlPvasp_optb88vdw_dfptMAE0.7648JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_8047_ZnSevasp_optb88vdw_dfptMAE0.4686JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_1372_AlAsvasp_optb88vdw_dfptMAE0.8201JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_41_SiO2vasp_optb88vdw_dfptMAE0.0115JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_1180_InNvasp_optb88vdw_dfptMAE0.0086JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_8041_HgTevasp_optb88vdw_linoptMAE3.2251JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_1408_AlSbvasp_optb88vdw_linoptMAE0.3367JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_54_MoS2vasp_optb88vdw_linoptMAE0.8649JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsxvasp_optb88vdw_linoptMAE1.4638JARVISdft_3d16ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_20778_BeOvasp_optb88vdw_dfptMAE0.4868JARVISdft_3d1ESSinglePropertyPredictiondft_3d_epsx_JVASP_75_WSe2vasp_optb88vdw_dfptMAE3.7241JARVISdft_3d1ESSinglePropertyPredictiondft_3d_max_piezoelec_JVASP_1195_ZnOvasp_optb88vdw_dfptMAE0.7625JARVISdft_3d1ESSinglePropertyPredictiondft_2d_Tc_supercon_JVASP_655_NbSe2qe_pbesol_gbrvMAE1.9JARVISdft_2d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_1014_Taqe_pbesol_gbrvMAE3.1395JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_superconqe_pbesol_gbrvMAE3.3785JARVISdft_3d14ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_934_Nbqe_pbesol_gbrvMAE1.4233JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_20620_YB6qe_pbesol_gbrvMAE2.0599JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_14960_V3Siqe_pbesol_gbrvMAE0.6329JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_11981_Nb3Alqe_pbesol_gbrvMAE7.8436JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_36335_NbNqe_pbesol_gbrvMAE1.5652JARVISdft_3d1ESSinglePropertyPredictiondft_2d_Tc_supercon_JVASP_646_NbS2qe_pbesol_gbrvMAE2.2JARVISdft_2d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_14837_Vqe_pbesol_gbrvMAE12.957JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_14492_NbOqe_pbesol_gbrvMAE2.2134JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_19889_NbCqe_pbesol_gbrv_tetrahedronMAE1.0JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_961_Pbqe_pbesol_gbrv_tetrahedronMAE1.8JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_15938_Nb3Siqe_pbesol_gbrvMAE1.4986JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_816_Alqe_pbesol_gbrvMAE0.3995JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_19679_ZrNqe_pbesol_gbrvMAE0.2645JARVISdft_3d1ESSinglePropertyPredictiondft_3d_Tc_supercon_JVASP_1151_MgB2qe_pbesol_gbrvMAE6.3148JARVISdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_819_Arqmcpack_team__dmc_001MAE0.42QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_25213_Krqmcpack_team__dmc_001MAE0.24QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_1312_BPqmcpack_team__dmc_001MAE4.85QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_834_Beqmcpack_team__dmc_001MAE2.37QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_79204_BNqmcpack_team__dmc_001MAE10.86QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_bulk_modulus_JVASP_25248_Xeqmcpack_team__dmc_001MAE0.19QMCPACKdft_3d1ESSinglePropertyPredictiondft_3d_slme_JVASP_7112_H6PbCI3Nvasp_tbmbjMAE0.52JARVISdft_3d1ESSinglePropertyPredictiondft_3d_slmevasp_tbmbjMAE5.0925JARVISdft_3d5ESSinglePropertyPredictiondft_3d_slme_JVASP_8554_InCuSe2vasp_tbmbjMAE8.35JARVISdft_3d1ESSinglePropertyPredictiondft_3d_slme_JVASP_1174_GaAsvasp_tbmbjMAE3.94JARVISdft_3d1ESSinglePropertyPredictiondft_3d_slme_JVASP_7757_CdTevasp_tbmbjMAE6.77JARVISdft_3d1ESSinglePropertyPredictiondft_3d_slme_JVASP_266_InPvasp_tbmbjMAE9.14JARVISdft_3d1