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matminer 0.1.3 documentation
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__init__() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method)
(matminer.data_retrieval.retrieve_MP.MPDataRetrieval method)
(matminer.data_retrieval.retrieve_MongoDB.MongoDataRetrieval method)
(matminer.featurizers.bandstructure.BandFeaturizer method)
(matminer.featurizers.bandstructure.BranchPointEnergy method)
(matminer.featurizers.composition.CohesiveEnergy method)
(matminer.featurizers.composition.ElectronAffinity method)
(matminer.featurizers.composition.ElectronegativityDiff method)
(matminer.featurizers.composition.ElementFraction method)
(matminer.featurizers.composition.ElementProperty method)
(matminer.featurizers.composition.FERECorrection method)
(matminer.featurizers.composition.IonProperty method)
(matminer.featurizers.composition.Stoichiometry method)
(matminer.featurizers.composition.TMetalFraction method)
(matminer.featurizers.composition.ValenceOrbital method)
(matminer.featurizers.site.AGNIFingerprints method)
(matminer.featurizers.structure.CoulombMatrix method)
(matminer.featurizers.structure.DensityFeatures method)
(matminer.featurizers.structure.ElectronicRadialDistributionFunction method)
(matminer.featurizers.structure.MinimumRelativeDistances method)
(matminer.featurizers.structure.OrbitalFieldMatrix method)
(matminer.featurizers.structure.PartialRadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunctionPeaks method)
(matminer.featurizers.structure.SineCoulombMatrix method)
(matminer.featurizers.structure.SitesOrderParameters method)
(matminer.figrecipes.matplotlib.plots.HeatMapPlot method)
(matminer.figrecipes.matplotlib.plots.XYPlot method)
(matminer.figrecipes.plotly.make_plots.PlotlyFig method)
(matminer.learners.volume_predictor.ConditionalVolumePredictor method)
(matminer.learners.volume_predictor.VolumePredictor method)
(matminer.models.mechanical_properties.BulkModulus method)
(matminer.models.mechanical_properties.Lames1stParam method)
(matminer.models.mechanical_properties.PWaveModulus method)
(matminer.models.mechanical_properties.ShearModulus method)
(matminer.models.mechanical_properties.YM method)
(matminer.models.mechanical_properties.YoungsModulus method)
(matminer.models.sound_velocity.SoundVelocityModel method)
(matminer.models.thermal_conductivity.CahillSimpleModel method)
A
AbstractData (class in matminer.featurizers.data)
AGNIFingerprints (class in matminer.featurizers.site)
avg_dev() (matminer.featurizers.stats.PropertyStats static method)
B
BandCenter (class in matminer.featurizers.composition)
BandFeaturizer (class in matminer.featurizers.bandstructure)
bar_chart() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)
BaseFeaturizer (class in matminer.featurizers.base)
BranchPointEnergy (class in matminer.featurizers.bandstructure)
brittleness_index() (in module matminer.models.mechanical_properties)
bulk_modulus() (in module matminer.models.mechanical_properties)
BulkModulus (class in matminer.models.mechanical_properties)
bulkmodulus_coordination() (in module matminer.models.mechanical_properties)
C
cahill_integrand() (in module matminer.models.thermal_conductivity)
cahill_integrand_model() (in module matminer.models.thermal_conductivity)
cahill_integrand_summation() (in module matminer.models.thermal_conductivity)
CahillSimpleModel (class in matminer.models.thermal_conductivity)
calc_stat() (matminer.featurizers.stats.PropertyStats static method)
calculate() (matminer.models.mechanical_properties.BulkModulus method)
(matminer.models.mechanical_properties.Lames1stParam method)
(matminer.models.mechanical_properties.PWaveModulus method)
(matminer.models.mechanical_properties.ShearModulus method)
(matminer.models.mechanical_properties.YM method)
(matminer.models.mechanical_properties.YoungsModulus method)
(matminer.models.thermal_conductivity.CahillSimpleModel method)
callaway_integrand() (in module matminer.models.thermal_conductivity)
callaway_model() (in module matminer.models.thermal_conductivity)
citation() (matminer.models.sound_velocity.SoundVelocityModel method)
citations() (matminer.featurizers.bandstructure.BandFeaturizer method)
(matminer.featurizers.bandstructure.BranchPointEnergy method)
(matminer.featurizers.base.BaseFeaturizer method)
(matminer.featurizers.composition.BandCenter method)
(matminer.featurizers.composition.CohesiveEnergy method)
(matminer.featurizers.composition.ElectronAffinity method)
(matminer.featurizers.composition.ElectronegativityDiff method)
(matminer.featurizers.composition.ElementProperty method)
(matminer.featurizers.composition.FERECorrection method)
(matminer.featurizers.composition.IonProperty method)
(matminer.featurizers.composition.Stoichiometry method)
(matminer.featurizers.composition.TMetalFraction method)
(matminer.featurizers.composition.ValenceOrbital method)
(matminer.featurizers.site.AGNIFingerprints method)
(matminer.featurizers.structure.CoulombMatrix method)
(matminer.featurizers.structure.DensityFeatures method)
(matminer.featurizers.structure.ElectronicRadialDistributionFunction method)
(matminer.featurizers.structure.MinimumRelativeDistances method)
(matminer.featurizers.structure.OrbitalFieldMatrix method)
(matminer.featurizers.structure.PartialRadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunctionPeaks method)
(matminer.featurizers.structure.SineCoulombMatrix method)
(matminer.featurizers.structure.SitesOrderParameters method)
CitrineDataRetrieval (class in matminer.data_retrieval.retrieve_Citrine)
clarke_model() (in module matminer.models.thermal_conductivity)
clean_projection() (in module matminer.data_retrieval.retrieve_MongoDB)
CohesiveEnergy (class in matminer.featurizers.composition)
compute() (matminer.models.sound_velocity.SoundVelocityModel method)
ConditionalVolumePredictor (class in matminer.learners.volume_predictor)
ConditionalVolumePredictorTest (class in matminer.learners.tests.test_volume_predictor)
CoulombMatrix (class in matminer.featurizers.structure)
create_plot() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)
critical_fracture_toughness() (in module matminer.models.mechanical_properties)
critical_stress() (in module matminer.models.mechanical_properties)
D
DataSetTest (class in matminer.datasets.test_datasets.test_datasets)
debye_model() (in module matminer.models.thermal_conductivity)
DensityFeatures (class in matminer.featurizers.structure)
directions (matminer.featurizers.site.AGNIFingerprints attribute)
E
effective_cubic_elasticconstant() (in module matminer.models.sound_velocity)
eigenvalues() (matminer.featurizers.stats.PropertyStats static method)
ElectronAffinity (class in matminer.featurizers.composition)
ElectronegativityDiff (class in matminer.featurizers.composition)
ElectronicRadialDistributionFunction (class in matminer.featurizers.structure)
ElementFraction (class in matminer.featurizers.composition)
ElementProperty (class in matminer.featurizers.composition)
equation() (matminer.models.mechanical_properties.BulkModulus method)
(matminer.models.mechanical_properties.Lames1stParam method)
(matminer.models.mechanical_properties.PWaveModulus method)
(matminer.models.mechanical_properties.ShearModulus method)
(matminer.models.mechanical_properties.YM method)
(matminer.models.mechanical_properties.YoungsModulus method)
F
feature_labels() (matminer.featurizers.bandstructure.BandFeaturizer method)
(matminer.featurizers.bandstructure.BranchPointEnergy method)
(matminer.featurizers.base.BaseFeaturizer method)
(matminer.featurizers.composition.BandCenter method)
(matminer.featurizers.composition.CohesiveEnergy method)
(matminer.featurizers.composition.ElectronAffinity method)
(matminer.featurizers.composition.ElectronegativityDiff method)
(matminer.featurizers.composition.ElementFraction method)
(matminer.featurizers.composition.ElementProperty method)
(matminer.featurizers.composition.FERECorrection method)
(matminer.featurizers.composition.IonProperty method)
(matminer.featurizers.composition.Stoichiometry method)
(matminer.featurizers.composition.TMetalFraction method)
(matminer.featurizers.composition.ValenceOrbital method)
(matminer.featurizers.site.AGNIFingerprints method)
(matminer.featurizers.structure.CoulombMatrix method)
(matminer.featurizers.structure.DensityFeatures method)
(matminer.featurizers.structure.ElectronicRadialDistributionFunction method)
(matminer.featurizers.structure.MinimumRelativeDistances method)
(matminer.featurizers.structure.OrbitalFieldMatrix method)
(matminer.featurizers.structure.PartialRadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunctionPeaks method)
(matminer.featurizers.structure.SineCoulombMatrix method)
(matminer.featurizers.structure.SitesOrderParameters method)
featurize() (matminer.featurizers.bandstructure.BandFeaturizer method)
(matminer.featurizers.bandstructure.BranchPointEnergy method)
(matminer.featurizers.base.BaseFeaturizer method)
(matminer.featurizers.composition.BandCenter method)
(matminer.featurizers.composition.CohesiveEnergy method)
(matminer.featurizers.composition.ElectronAffinity method)
(matminer.featurizers.composition.ElectronegativityDiff method)
(matminer.featurizers.composition.ElementFraction method)
(matminer.featurizers.composition.ElementProperty method)
(matminer.featurizers.composition.FERECorrection method)
(matminer.featurizers.composition.IonProperty method)
(matminer.featurizers.composition.Stoichiometry method)
(matminer.featurizers.composition.TMetalFraction method)
(matminer.featurizers.composition.ValenceOrbital method)
(matminer.featurizers.site.AGNIFingerprints method)
(matminer.featurizers.structure.CoulombMatrix method)
(matminer.featurizers.structure.DensityFeatures method)
(matminer.featurizers.structure.ElectronicRadialDistributionFunction method)
(matminer.featurizers.structure.MinimumRelativeDistances method)
(matminer.featurizers.structure.OrbitalFieldMatrix method)
(matminer.featurizers.structure.PartialRadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunctionPeaks method)
(matminer.featurizers.structure.SineCoulombMatrix method)
(matminer.featurizers.structure.SitesOrderParameters method)
featurize_dataframe() (matminer.featurizers.base.BaseFeaturizer method)
FERECorrection (class in matminer.featurizers.composition)
flatten() (matminer.featurizers.stats.PropertyStats static method)
flattenDict() (in module matminer.utils)
fracture_toughness() (in module matminer.models.mechanical_properties)
from_preset() (matminer.featurizers.composition.ElementProperty static method)
(matminer.featurizers.structure.SitesOrderParameters static method)
G
gaussian_kernel() (matminer.featurizers.stats.PropertyStats static method)
get_atom_ofms() (matminer.featurizers.structure.OrbitalFieldMatrix method)
get_bindex_bspin() (matminer.featurizers.bandstructure.BandFeaturizer static method)
get_composition_oxidation_state() (matminer.featurizers.data.PymatgenData static method)
get_dataframe() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method)
(matminer.data_retrieval.retrieve_MP.MPDataRetrieval method)
(matminer.data_retrieval.retrieve_MongoDB.MongoDataRetrieval method)
get_mean_ofm() (matminer.featurizers.structure.OrbitalFieldMatrix method)
get_neighbors_of_site_with_index() (in module matminer.featurizers.structure)
get_neighbors_of_site_with_index_future() (in module matminer.featurizers.structure)
get_ohv() (matminer.featurizers.structure.OrbitalFieldMatrix method)
get_order_parameter_feature_vectors_difference() (in module matminer.featurizers.structure)
get_order_parameter_stats() (in module matminer.featurizers.structure)
get_predicted_structure() (matminer.learners.volume_predictor.ConditionalVolumePredictor method)
(matminer.learners.volume_predictor.VolumePredictor method)
get_property() (matminer.featurizers.data.AbstractData method)
(matminer.featurizers.data.PymatgenData method)
get_single_ofm() (matminer.featurizers.structure.OrbitalFieldMatrix method)
get_structure_ofm() (matminer.featurizers.structure.OrbitalFieldMatrix method)
get_value() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method)
H
heatmap_ex1() (in module matminer.figrecipes.matplotlib.examples.heatmap_examples)
heatmap_plot() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)
HeatMapPlot (class in matminer.figrecipes.matplotlib.plots)
histogram() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)
holder_mean() (matminer.featurizers.stats.PropertyStats static method)
I
implementors() (matminer.featurizers.bandstructure.BandFeaturizer method)
(matminer.featurizers.bandstructure.BranchPointEnergy method)
(matminer.featurizers.base.BaseFeaturizer method)
(matminer.featurizers.composition.BandCenter method)
(matminer.featurizers.composition.CohesiveEnergy method)
(matminer.featurizers.composition.ElectronAffinity method)
(matminer.featurizers.composition.ElectronegativityDiff method)
(matminer.featurizers.composition.ElementFraction method)
(matminer.featurizers.composition.ElementProperty method)
(matminer.featurizers.composition.FERECorrection method)
(matminer.featurizers.composition.IonProperty method)
(matminer.featurizers.composition.Stoichiometry method)
(matminer.featurizers.composition.TMetalFraction method)
(matminer.featurizers.composition.ValenceOrbital method)
(matminer.featurizers.site.AGNIFingerprints method)
(matminer.featurizers.structure.CoulombMatrix method)
(matminer.featurizers.structure.DensityFeatures method)
(matminer.featurizers.structure.ElectronicRadialDistributionFunction method)
(matminer.featurizers.structure.MinimumRelativeDistances method)
(matminer.featurizers.structure.OrbitalFieldMatrix method)
(matminer.featurizers.structure.PartialRadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunction method)
(matminer.featurizers.structure.RadialDistributionFunctionPeaks method)
(matminer.featurizers.structure.SineCoulombMatrix method)
(matminer.featurizers.structure.SitesOrderParameters method)
IonProperty (class in matminer.featurizers.composition)
is_int() (in module matminer.data_retrieval.retrieve_MongoDB)
is_ox() (in module matminer.learners.volume_predictor)
K
keyes_model() (in module matminer.models.thermal_conductivity)
L
Lames1stParam (class in matminer.models.mechanical_properties)
laplacian_kernel() (matminer.featurizers.stats.PropertyStats static method)
load_dielectric_constant() (in module matminer.datasets.dataframe_loader)
load_elastic_tensor() (in module matminer.datasets.dataframe_loader)
load_piezoelectric_tensor() (in module matminer.datasets.dataframe_loader)
M
matminer (module)
matminer.data_retrieval (module)
matminer.data_retrieval.retrieve_Citrine (module)
matminer.data_retrieval.retrieve_MongoDB (module)
matminer.data_retrieval.retrieve_MP (module)
matminer.datasets (module)
matminer.datasets.dataframe_loader (module)
matminer.datasets.test_datasets (module)
matminer.datasets.test_datasets.test_datasets (module)
matminer.featurizers (module)
matminer.featurizers.bandstructure (module)
matminer.featurizers.base (module)
matminer.featurizers.composition (module)
matminer.featurizers.data (module)
matminer.featurizers.data_files (module)
matminer.featurizers.data_files.deml_elementdata (module)
matminer.featurizers.site (module)
matminer.featurizers.stats (module)
matminer.featurizers.structure (module)
matminer.figrecipes (module)
matminer.figrecipes.matplotlib (module)
matminer.figrecipes.matplotlib.examples (module)
matminer.figrecipes.matplotlib.examples.heatmap_examples (module)
matminer.figrecipes.matplotlib.examples.xyscatter_examples (module)
matminer.figrecipes.matplotlib.plots (module)
matminer.figrecipes.plotly (module)
matminer.figrecipes.plotly.make_plots (module)
matminer.learners (module)
matminer.learners.tests (module)
matminer.learners.tests.test_volume_predictor (module)
matminer.learners.volume_predictor (module)
matminer.models (module)
matminer.models.mechanical_properties (module)
matminer.models.sound_velocity (module)
matminer.models.thermal_conductivity (module)
matminer.utils (module)
max_allowed_heatflow() (in module matminer.models.mechanical_properties)
maximum() (matminer.featurizers.stats.PropertyStats static method)
mean() (matminer.featurizers.stats.PropertyStats static method)
minimum() (matminer.featurizers.stats.PropertyStats static method)
MinimumRelativeDistances (class in matminer.featurizers.structure)
mode() (matminer.featurizers.stats.PropertyStats static method)
MongoDataRetrieval (class in matminer.data_retrieval.retrieve_MongoDB)
MPDataRetrieval (class in matminer.data_retrieval.retrieve_MP)
N
n_numerical_modes() (matminer.featurizers.stats.PropertyStats static method)
O
OrbitalFieldMatrix (class in matminer.featurizers.structure)
P
parse_matrix() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method)
parse_scalars() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method)
parse_vectors() (matminer.data_retrieval.retrieve_Citrine.CitrineDataRetrieval method)
PartialRadialDistributionFunction (class in matminer.featurizers.structure)
plot() (matminer.figrecipes.matplotlib.plots.HeatMapPlot method)
(matminer.figrecipes.matplotlib.plots.XYPlot method)
PlotlyFig (class in matminer.figrecipes.plotly.make_plots)
predict() (matminer.learners.volume_predictor.ConditionalVolumePredictor method)
(matminer.learners.volume_predictor.VolumePredictor method)
properties_involved() (matminer.models.mechanical_properties.BulkModulus method)
(matminer.models.mechanical_properties.Lames1stParam method)
(matminer.models.mechanical_properties.PWaveModulus method)
(matminer.models.mechanical_properties.ShearModulus method)
(matminer.models.mechanical_properties.YoungsModulus method)
PropertyStats (class in matminer.featurizers.stats)
PWaveModulus (class in matminer.models.mechanical_properties)
PymatgenData (class in matminer.featurizers.data)
R
RadialDistributionFunction (class in matminer.featurizers.structure)
RadialDistributionFunctionPeaks (class in matminer.featurizers.structure)
range() (matminer.featurizers.stats.PropertyStats static method)
remove_ints() (in module matminer.data_retrieval.retrieve_MongoDB)
S
scatter_matrix() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)
shear_modulus() (in module matminer.models.mechanical_properties)
ShearModulus (class in matminer.models.mechanical_properties)
SineCoulombMatrix (class in matminer.featurizers.structure)
SitesOrderParameters (class in matminer.featurizers.structure)
slack_integrand() (in module matminer.models.thermal_conductivity)
slack_integrand_model() (in module matminer.models.thermal_conductivity)
slack_simple_model() (in module matminer.models.thermal_conductivity)
sorted() (matminer.featurizers.stats.PropertyStats static method)
sound_velocity() (in module matminer.models.sound_velocity)
SoundVelocityModel (class in matminer.models.sound_velocity)
std_dev() (matminer.featurizers.stats.PropertyStats static method)
steadystate_heatflow() (in module matminer.models.mechanical_properties)
Stoichiometry (class in matminer.featurizers.composition)
strain_energy_releaserate() (in module matminer.models.mechanical_properties)
stress_from_tempgradient() (in module matminer.models.mechanical_properties)
T
test_CsCl() (matminer.learners.tests.test_volume_predictor.VolumePredictorTest method)
test_CsCl_ionic() (matminer.learners.tests.test_volume_predictor.VolumePredictorTest method)
test_dielectric_tensor() (matminer.datasets.test_datasets.test_datasets.DataSetTest method)
test_elastic_tensor() (matminer.datasets.test_datasets.test_datasets.DataSetTest method)
test_piezoelectric_tensor() (matminer.datasets.test_datasets.test_datasets.DataSetTest method)
test_predict() (matminer.learners.tests.test_volume_predictor.ConditionalVolumePredictorTest method)
test_Si() (matminer.learners.tests.test_volume_predictor.VolumePredictorTest method)
thermal_shock() (in module matminer.models.mechanical_properties)
thermal_stress() (in module matminer.models.mechanical_properties)
TMetalFraction (class in matminer.featurizers.composition)
V
ValenceOrbital (class in matminer.featurizers.composition)
vickers_hardness1() (in module matminer.models.mechanical_properties)
vickers_hardness2() (in module matminer.models.mechanical_properties)
violin_plot() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)
VolumePredictor (class in matminer.learners.volume_predictor)
VolumePredictorTest (class in matminer.learners.tests.test_volume_predictor)
X
xy_plot() (matminer.figrecipes.plotly.make_plots.PlotlyFig method)
XYPlot (class in matminer.figrecipes.matplotlib.plots)
xyscatter_ex1() (in module matminer.figrecipes.matplotlib.examples.xyscatter_examples)
Y
YM (class in matminer.models.mechanical_properties)
YoungsModulus (class in matminer.models.mechanical_properties)
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matminer 0.1.3 documentation
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