Index

_

__modnet_version__ (modnet.preprocessing.MODData attribute)

B

build_model() (modnet.models.vanilla.MODNetModel method)

C

can_return_uncertainty (modnet.models.vanilla.MODNetModel attribute) clean_df() (in module modnet.featurizers) (in module modnet.featurizers.utils) composition_featurizers (modnet.featurizers.featurizers.MODFeaturizer attribute), [1] (modnet.featurizers.MODFeaturizer attribute), [1] CompositionContainer (class in modnet.preprocessing)

CompositionOnlyFeaturizer (class in modnet.featurizers.presets.debreuck_2020) CompositionOnlyMatminer2023Featurizer (class in modnet.featurizers.presets.matminer_2023) CompositionOnlyMatminerAll2023Featurizer (class in modnet.featurizers.presets.matminer_all_2023) compositions (modnet.preprocessing.MODData property) compute_mi() (in module modnet.preprocessing) cross_nmi (modnet.ext_data.Usage attribute) (modnet.preprocessing.MODData attribute)

D

Dataset (class in modnet.ext_data) DeBreuck2020Featurizer (class in modnet.featurizers.presets.debreuck_2020) description (modnet.ext_data.Dataset attribute)

df_featurized (modnet.preprocessing.MODData attribute) df_structure (modnet.preprocessing.MODData attribute) df_targets (modnet.preprocessing.MODData attribute)

E

evaluate() (modnet.models.vanilla.MODNetModel method)

F

feature_db (modnet.ext_data.Usage attribute) feature_entropy (modnet.preprocessing.MODData attribute) feature_selection() (modnet.preprocessing.MODData method) featurize() (modnet.featurizers.featurizers.MODFeaturizer method) (modnet.featurizers.MODFeaturizer method) (modnet.preprocessing.MODData method) featurize_composition() (modnet.featurizers.featurizers.MODFeaturizer method) (modnet.featurizers.MODFeaturizer method) (modnet.featurizers.presets.debreuck_2020.DeBreuck2020Featurizer method) (modnet.featurizers.presets.matminer_2023.Matminer2023Featurizer method) (modnet.featurizers.presets.matminer_all_2023.MatminerAll2023Featurizer method) featurize_site() (modnet.featurizers.featurizers.MODFeaturizer method) (modnet.featurizers.MODFeaturizer method) (modnet.featurizers.presets.debreuck_2020.DeBreuck2020Featurizer method) (modnet.featurizers.presets.matminer_2023.Matminer2023Featurizer method) (modnet.featurizers.presets.matminer_all_2023.MatminerAll2023Featurizer method)

featurize_structure() (modnet.featurizers.featurizers.MODFeaturizer method) (modnet.featurizers.MODFeaturizer method) (modnet.featurizers.presets.debreuck_2020.DeBreuck2020Featurizer method) (modnet.featurizers.presets.matminer_2023.Matminer2023Featurizer method) (modnet.featurizers.presets.matminer_all_2023.MatminerAll2023Featurizer method) featurizer (modnet.preprocessing.MODData attribute) featurizer_mode (modnet.featurizers.featurizers.MODFeaturizer attribute), [1] (modnet.featurizers.MODFeaturizer attribute), [1] filename (modnet.ext_data.Dataset attribute) fit() (modnet.models.vanilla.MODNetModel method) (modnet.sklearn.MODNet method) (modnet.sklearn.MODNetFeaturizer method) (modnet.sklearn.RR method) fit_preset() (modnet.models.vanilla.MODNetModel method) from_indices() (modnet.preprocessing.MODData method) from_preset() (modnet.sklearn.MODNetFeaturizer class method)

G

gen_presets() (in module modnet.model_presets) (in module modnet.model_presets.presets) get_cross_nmi() (in module modnet.preprocessing) get_features_dyn() (in module modnet.preprocessing) get_features_relevance_redundancy() (in module modnet.preprocessing) get_featurized_df() (modnet.preprocessing.MODData method) get_hash_of_file() (in module modnet.utils)

get_optimal_descriptors() (modnet.preprocessing.MODData method) get_optimal_df() (modnet.preprocessing.MODData method) get_params() (modnet.models.vanilla.MODNetModel method) get_rr_c_parameter_default() (in module modnet.preprocessing) get_rr_p_parameter_default() (in module modnet.preprocessing) get_structure_df() (modnet.preprocessing.MODData method) get_target_df() (modnet.preprocessing.MODData method)

L

load() (modnet.models.vanilla.MODNetModel static method) (modnet.preprocessing.MODData static method) load_ext_dataset() (in module modnet.ext_data)

load_featurizers() (modnet.featurizers.presets.debreuck_2020.DeBreuck2020Featurizer method) (modnet.featurizers.presets.matminer_2023.Matminer2023Featurizer method) (modnet.featurizers.presets.matminer_all_2023.MatminerAll2023Featurizer method) load_precomputed() (modnet.preprocessing.MODData class method)

M

map_mi() (in module modnet.preprocessing) Matminer2023Featurizer (class in modnet.featurizers.presets.matminer_2023) MatminerAll2023Featurizer (class in modnet.featurizers.presets.matminer_all_2023) md5 (modnet.ext_data.Dataset attribute) merge_ranked() (in module modnet.preprocessing) MODData (class in modnet.preprocessing) model (modnet.models.vanilla.MODNetModel attribute) MODFeaturizer (class in modnet.featurizers) (class in modnet.featurizers.featurizers) modnet module MODNet (class in modnet.sklearn) modnet.ext_data module modnet.featurizers module modnet.featurizers.featurizers module modnet.featurizers.presets module modnet.featurizers.presets.debreuck_2020 module modnet.featurizers.presets.matminer_2023 module modnet.featurizers.presets.matminer_all_2023 module modnet.featurizers.utils module modnet.matbench module

modnet.model_presets module modnet.model_presets.presets module modnet.models.vanilla module modnet.preprocessing module modnet.sklearn module modnet.utils module MODNetFeaturizer (class in modnet.sklearn) MODNetModel (class in modnet.models.vanilla) module modnet modnet.ext_data modnet.featurizers modnet.featurizers.featurizers modnet.featurizers.presets modnet.featurizers.presets.debreuck_2020 modnet.featurizers.presets.matminer_2023 modnet.featurizers.presets.matminer_all_2023 modnet.featurizers.utils modnet.matbench modnet.model_presets modnet.model_presets.presets modnet.models.vanilla modnet.preprocessing modnet.sklearn modnet.utils

N

n_feat (modnet.models.vanilla.MODNetModel attribute) (modnet.sklearn.RR attribute)

names (modnet.preprocessing.MODData property) nmi_target() (in module modnet.preprocessing) num_classes (modnet.preprocessing.MODData attribute)

O

optimal_descriptors (modnet.models.vanilla.MODNetModel attribute) (modnet.sklearn.RR attribute) optimal_features (modnet.preprocessing.MODData attribute)

optimal_features_by_target (modnet.preprocessing.MODData attribute) oxid_composition_featurizers (modnet.featurizers.featurizers.MODFeaturizer attribute), [1] (modnet.featurizers.MODFeaturizer attribute), [1]

P

package_version_requirements (modnet.featurizers.presets.debreuck_2020.DeBreuck2020Featurizer attribute)

predict() (modnet.models.vanilla.MODNetModel method) (modnet.sklearn.MODNet method)

R

rebalance() (modnet.preprocessing.MODData method)

RR (class in modnet.sklearn)

S

save() (modnet.models.vanilla.MODNetModel method) (modnet.preprocessing.MODData method) set_n_jobs() (modnet.featurizers.featurizers.MODFeaturizer method) (modnet.featurizers.MODFeaturizer method) set_params() (modnet.models.vanilla.MODNetModel method) shuffle() (modnet.preprocessing.MODData method) site_featurizers (modnet.featurizers.featurizers.MODFeaturizer attribute) (modnet.featurizers.MODFeaturizer attribute)

site_stats (modnet.featurizers.featurizers.MODFeaturizer attribute), [1] (modnet.featurizers.MODFeaturizer attribute), [1] split() (modnet.preprocessing.MODData method) structure_featurizers (modnet.featurizers.featurizers.MODFeaturizer attribute), [1] (modnet.featurizers.MODFeaturizer attribute), [1] structure_ids (modnet.preprocessing.MODData property) structures (modnet.preprocessing.MODData property)

T

target_names (modnet.models.vanilla.MODNetModel attribute) (modnet.preprocessing.MODData property)

targets (modnet.preprocessing.MODData property) transform() (modnet.sklearn.MODNetFeaturizer method) (modnet.sklearn.RR method)

U

url (modnet.ext_data.Dataset attribute)

Usage (class in modnet.ext_data) usage (modnet.ext_data.Dataset attribute)

W

weights (modnet.models.vanilla.MODNetModel attribute)