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dft 3d Tc supercon JVASP 1014 Ta
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Notebooks
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AtomGen
AtomGen
Index
Model for carbon material design
Model for 3D superconductor design
Model for perovskite material design
ImageClass
ImageClass
Index
Model for STEM 2D Image class
MLFF
MLFF
Index
Model for ALIGNN-FF energy
Model for ALIGNN-FF Forces
Model for Cu FF energy
Model for ALIGNN-FF energy
Model for Cu FF forces
Model for Cu FF stresses
Model for Ge FF energy
Model for Ge FF forces
Model for Ge FF stresses
Model for Li FF energy
Model for Li FF forces
Model for Li FF stresses
Model for Mo FF energy
Model for Mo FF forces
Model for Mo FF stresses
Model for Ni FF energy
Model for Ni FF forces
Model for Ni FF stresses
Model for Si FF energy
Model for Si FF forces
Model for Si FF stresses
SinglePropertyClass
SinglePropertyClass
Index
Model for magmom_oszicar
Model for mbj_bandgap
Model for n-powerfact
Model for optb88vdw_bandgap
Model for p-Seebeck
Model for slme
Model for spillage
SinglePropertyPrediction
SinglePropertyPrediction
Index
Model for AGRA OH dataset
Model for AGRA COOH dataset
Model for AGRA CO dataset
Model for AGRA OH dataset
Model for AGRA Oxygen dataset
Model for formation_energy_peratom
Model for avg_elec_mass
Model for avg_hole_mass
Model for bandgap
Model for bulk_modulus_kv
Model for dfpt_piezo_max_dielectric
Model for dfpt_piezo_max_dij
Model for ehull
Model for encut
Model for epsx
Model for epsy
Model for epsz
Model for exfoliation_energy
Model for formation_energy_peratom
Model for kpoint_length_unit
Model for magmom_oszicar
Model for max_efg
Model for mbj_bandgap
Model for mepsx
Model for mepsy
Model for mepsz
Model for n-Seebeck
Model for n-powerfact
Model for optb88vdw_bandgap
Model for optb88vdw_total_energy
Model for heat capacity
Model for shear_modulus_gv
Model for slme
Model for spillage
Model for halide perovskite HSE decomposition energy
Model for halide perovskite HSE bandgap
Model for halide perovskite PBE decomposition energy
Model for halide perovskite PBE bandgap
Model for halide perovskite Refractive index
Model for lcd
Model for max_co2_adsp
Model for min_co2_adsp
Model for pld
Model for surface_area_m2cm3
Model for surface_area_m2g
Model for void_fraction
Model for magnetic moment of 2D materials using chemical formula
Model for e_form
Model for gappbe
Model for 2D MXene formation energy
Model for open catalyst project 100k dataset
Model for open catalyst project 10k dataset
Model for open catalyst project all is2re dataset
Model for energy_per_atom
Model for f_enp
Model for qe_tb_final_energy
Model for indir_gap
Model for Cv
Model for G
Model for H
Model for HOMO
Model for LUMO
Model for R2
Model for U
Model for U0
Model for ZPVE
Model for alpha
Model for gap
Model for mu
Model for bandgap
Model for Band_gap_HSE
Model for formula_energy in ssub database
Model for superconducting Tc using chemical formula
Model for TinNet Nitrogen dataset
Model for TinNet Oxygen dataset
Model for TinNet Oxygen dataset
Model for Vacancy formation energy for 2D
Model for Vacancy formation energy
Model for Vacancy formation energy for elements
Model for Vacancy formation energy for oxides
Model for Vacancy formation energy with defined train-test splits for oxides
Model for Vacancy formation energy for oxides
Spectra
Spectra
Index
Model for PhononDos
TextClass
TextClass
Index
Model for arXiv text class
Model for MMLU quiz
Model for arXiv text class
TextGen
TextGen
Index
Model for arXiv text generation
TextSummary
TextSummary
Index
Model for arXiv text summarization
TokenClass
TokenClass
Index
Model for arXiv text class
ES
ES
Index
SinglePropertyPrediction
SinglePropertyPrediction
Index
Model for Tc_supercon_JVASP_646_NbS2
Model for Tc_supercon_JVASP_655_NbSe2
Model for Tc_supercon
dft 3d Tc supercon JVASP 1014 Ta
Model for Tc_supercon_JVASP_1151_MgB2
Model for Tc_supercon_JVASP_11981_Nb3Al
Model for Tc_supercon_JVASP_14492_NbO
Model for Tc_supercon_JVASP_14837_V
Model for Tc_supercon_JVASP_14960_V3Si
Model for Tc_supercon_JVASP_15938_Nb3Si
Model for Tc_supercon_JVASP_19679_ZrN
Model for Tc_supercon_JVASP_19889_NbC
Model for Tc_supercon_JVASP_20620_YB6
Model for Tc_supercon_JVASP_36335_NbN
Model for Tc_supercon_JVASP_816_Al
Model for Tc_supercon_JVASP_934_Nb
Model for Tc_supercon_JVASP_961_Pb
Model for bandgap
Model for bandgap_JVASP_1002_Si
Model for bandgap_JVASP_104_TiO2
Model for bandgap_JVASP_1130_LiF
Model for bandgap_JVASP_113_ZrO2
Model for bandgap_JVASP_1145_KCl
Model for bandgap_JVASP_116_MgO
Model for bandgap_JVASP_1174_GaAs
Model for bandgap_JVASP_1180_InN
Model for bandgap_JVASP_1183_InP
Model for bandgap_JVASP_1189_InSb
Model for bandgap_JVASP_1192_CdSe
Model for bandgap_JVASP_1198_ZnTe
Model for bandgap_JVASP_1201_CuCl
Model for bandgap_JVASP_1216_Cu2O
Model for bandgap_JVASP_1267_BaTe
Model for bandgap_JVASP_1294_BaSe
Model for bandgap_JVASP_1300_MgS
Model for bandgap_JVASP_1312_BP
Model for bandgap_JVASP_1315_BaS
Model for bandgap_JVASP_1327_AlP
Model for bandgap_JVASP_1393_GaP
Model for bandgap_JVASP_1405_CaO
Model for bandgap_JVASP_1408_AlSb
Model for bandgap_JVASP_1453_AlCuO2
Model for bandgap_JVASP_1702_ZnS
Model for bandgap_JVASP_17_BN
Model for bandgap_JVASP_1954_AgCl
Model for bandgap_JVASP_23_CdTe
Model for bandgap_JVASP_299_SnSe
Model for bandgap_JVASP_30_GaN
Model for bandgap_JVASP_32_Al2O3
Model for bandgap_JVASP_39_AlN
Model for bandgap_JVASP_54_MoS2
dft 3d bandgap JVASP 57 MoSe2
Model for bandgap_JVASP_5_TiO2
Model for bandgap_JVASP_72_WS2
Model for bandgap_JVASP_75_WSe2
Model for bandgap_JVASP_7630_BAs
Model for bandgap_JVASP_7678_MgSe
Model for bandgap_JVASP_7762_MgTe
Model for bandgap_JVASP_7844_AlN
Model for bandgap_JVASP_7860_SnTe
Model for bandgap_JVASP_8003_CdS
Model for bandgap_JVASP_8082_SrTiO3
Model for bandgap_JVASP_8158_SiC
Model for bandgap_JVASP_8169_GaN
Model for bandgap_JVASP_8566_AgI
Model for bandgap_JVASP_8583_AgBr
Model for bandgap_JVASP_890_Ge
Model for bandgap_JVASP_9147_HfO2
Model for bandgap_JVASP_91_C
Model for bandgap_JVASP_95_CdS
Model for bandgap_JVASP_96_ZnSe
Model for bandgap_JVASP_97_InAs
Model for bulk modulus
Model for bulk_modulus_JVASP_1002_Si
Model for bulk_modulus_JVASP_1130_LiF
Model for bulk_modulus_JVASP_113_ZrO2
Model for bulk_modulus_JVASP_116_MgO
Model for bulk_modulus_JVASP_1174_GaAs
Model for bulk_modulus_JVASP_1306_NiO
Model for bulk_modulus_JVASP_1312_BP
Model for bulk_modulus_JVASP_1390_SrO
Model for bulk_modulus_JVASP_1405_CaO
Model for bulk_modulus_JVASP_14590_Hf
Model for bulk_modulus_JVASP_14604_Ba
Model for bulk_modulus_JVASP_14606_Ag
Model for bulk_modulus_JVASP_14612_Zr
Model for bulk_modulus_JVASP_14813_Rb
Model for bulk_modulus_JVASP_182_SiC
Model for bulk_modulus_JVASP_20290_Sc2O3
Model for bulk_modulus_JVASP_20326_NaF
Model for bulk_modulus_JVASP_20793_Y2O3
Model for bulk_modulus_JVASP_21208_Sr
Model for bulk_modulus_JVASP_23862_NaCl
Model for bulk_modulus_JVASP_23864_LiCl
Model for bulk_modulus_JVASP_25065_Li
Model for bulk_modulus_JVASP_25114_K
Model for bulk_modulus_JVASP_25180_Ca
Model for bulk_modulus_JVASP_25213_Kr
Model for bulk_modulus_JVASP_25248_Xe
Model for bulk_modulus_JVASP_34249_HfO2
Model for bulk_modulus_JVASP_350_ZrO2
Model for bulk_modulus_JVASP_7809_ZrO2
Model for bulk_modulus_JVASP_7870_MnO
Model for bulk_modulus_JVASP_7871_NiO
Model for bulk_modulus_JVASP_79204_BN
Model for bulk_modulus_JVASP_816_Al
Model for bulk_modulus_JVASP_819_Ar
Model for bulk_modulus_JVASP_834_Be
Model for bulk_modulus_JVASP_867_Cu
Model for bulk_modulus_JVASP_87128_CoO
Model for bulk_modulus_JVASP_890_Ge
Model for bulk_modulus_JVASP_9147_HfO2
Model for bulk_modulus_JVASP_91_C
Model for bulk_modulus_JVASP_92796_La2O3
Model for bulk_modulus_JVASP_963_Pd
Model for bulk_modulus_JVASP_984_Rh
Model for cubic system lattice constants
Model for epsilon_x
Model for epsx_JVASP_1312_BP
Model for epsx_JVASP_1327_AlP
Model for epsx_JVASP_1393_GaP
Model for epsx_JVASP_1408_AlSb
Model for epsx_JVASP_1702_ZnS
Model for epsx_JVASP_17_BN
Model for epsx_JVASP_182_SiC
Model for epsx_JVASP_2355_ZnGeP2
Model for epsx_JVASP_2376_ZnSiP2
Model for epsx_JVASP_23_CdTe
Model for epsx_JVASP_54_MoS2
Model for epsx_JVASP_57_MoSe2
Model for epsx_JVASP_60_Te2Mo
Model for epsx_JVASP_72_WS2
Model for epsx_JVASP_75_WSe2
Model for epsx_JVASP_8041_HgTe
Model for Max Piezoelectric coeff
Model for max_piezoelec_JVASP_110_BaTiO3
Model for max_piezoelec_JVASP_1180_InN
Model for max_piezoelec_JVASP_1195_ZnO
Model for max_piezoelec_JVASP_1240_LiNbO3
Model for max_piezoelec_JVASP_1327_AlP
Model for max_piezoelec_JVASP_1372_AlAs
Model for max_piezoelec_JVASP_1408_AlSb
Model for max_piezoelec_JVASP_20778_BeO
Model for max_piezoelec_JVASP_30_GaN
Model for max_piezoelec_JVASP_3450_TiPbO3
Model for max_piezoelec_JVASP_35711_GaSb
Model for max_piezoelec_JVASP_39_AlN
Model for max_piezoelec_JVASP_41_SiO2
Model for max_piezoelec_JVASP_57695_BN
Model for max_piezoelec_JVASP_7648_ZnS
Model for max_piezoelec_JVASP_8047_ZnSe
Model for SLME
Model for slme_JVASP_1174_GaAs
Model for slme_JVASP_266_InP
Model for slme_JVASP_7112_H6PbCI3N
Model for slme_JVASP_7757_CdTe
Model for slme_JVASP_8554_InCuSe2
Comparison Vacancy formation energy with ES methods
Spectra
Spectra
Index
Model for dielectric_function
Model for dielectric_function_JVASP_1002_Si
Model for dielectric_function_JVASP_1174_GaAs
Model for dielectric_function_JVASP_266_InP
Model for dielectric_function_JVASP_890_Ge
EXP
EXP
Index
SinglePropertyPrediction
SinglePropertyPrediction
Index
Superconducting transition temperature data for MgB2
Superconducting transition temperature data for ZrN
Superconducting transition temperature data for Mo2C
Superconducting transition temperature data for NbS2
Superconducting transition temperature data for NbSe2
Superconducting transition temperature data for NbN
Superconducting transition temperature data for FeSe
Spectra
Spectra
Index
XRD for MgB2
Force vs elongation data for Kevlar129
CO2 adsorption for ZSM-5
FF
FF
Index
SinglePropertyPrediction
SinglePropertyPrediction
Index
Model for deltaF_biobench
Model for left handed_population_biobench
Model for right handed_population_biobench
Model for bulk_modulus_JVASP_1002_Si
Model for bulk_modulus_JVASP_816_Al
Model for bulk_modulus_JVASP_867_Cu
Model for 2D LJ liquid viscosity
QC
QC
Index
EigenSolver
EigenSolver
Index
Model for Hamiltonian
dft 3d Tc supercon JVASP 1014 Ta
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