featurebox
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featurebox
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联系方式
featurebox
索引
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索引
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模
A
AllAtomPairs(featurebox.featurizers.envir.local_env 中的类)
AtomJsonMap(featurebox.featurizers.atom.mapper 中的类)
AtomMap(featurebox.featurizers.atom.mapper 中的类)
AtomPymatgenPropMap(featurebox.featurizers.atom.mapper 中的类)
AtomTableMap(featurebox.featurizers.atom.mapper 中的类)
authors(featurebox.featurizers.base_feature.BaseFeature 属性)
avg_dev()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
B
BaderStartInter(featurebox.cli.vasp_bader 中的类)
BaderStartSingleResult(featurebox.cli.vasp_bader 中的类)
BaderStartZero(featurebox.cli.vasp_bader 中的类)
BandGapPy(featurebox.cli.vasp_bgp 中的类)
BandGapStartInter(featurebox.cli.vasp_bgp 中的类)
BandGapStartSingleResult(featurebox.cli.vasp_bgp 中的类)
BandGapStartZero(featurebox.cli.vasp_bgp 中的类)
BaseCompositionFeature(featurebox.featurizers.state.statistics 中的类)
BaseFeature(featurebox.featurizers.base_feature 中的类)
batch_after_treatment() (featurebox.cli.vasp_bader.BaderStartZero 方法)
batch_after_treatment() (featurebox.cli.vasp_bgp.BandGapPy 方法)
batch_after_treatment() (featurebox.cli.vasp_bgp.BandGapStartZero 方法)
batch_after_treatment() (featurebox.cli.vasp_cohp.COHPStartZero 方法)
batch_after_treatment() (featurebox.cli.vasp_converge.ConvergeChecker 方法)
batch_after_treatment() (featurebox.cli.vasp_dbc.DBCPy 方法)
batch_after_treatment() (featurebox.cli.vasp_dbc.DBCStartZero 方法)
batch_after_treatment() (featurebox.cli.vasp_dbc.DBCxyzPathOut 方法)
batch_after_treatment() (featurebox.cli.vasp_dos.DosPy 方法)
batch_after_treatment() (featurebox.cli.vasp_dos.DosxyzPathOut 方法)
batch_after_treatment() (featurebox.cli.vasp_general_diff.GeneralDiff 方法)
batch_after_treatment() (featurebox.cli.vasp_general_single.General 方法)
BatchFeature(featurebox.featurizers.batch_feature 中的类)
BinaryMap(featurebox.featurizers.atom.mapper 中的类)
C
calc_stat()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
calculate() (featurebox.cli.vasp_dos.Dosxyz 方法)
check() (featurebox.data.check_data.CheckElements 方法)
check_convergence()(在 featurebox.cli.vasp_converge 模块中)
CheckElements(featurebox.data.check_data 中的类)
cifs_to_structures() (featurebox.data.mp_access.MpAccess 方法)
citations(featurebox.featurizers.base_feature.BaseFeature 属性)
COHPStartInter(featurebox.cli.vasp_cohp 中的类)
COHPStartSingleResult(featurebox.cli.vasp_cohp 中的类)
COHPStartZero(featurebox.cli.vasp_cohp 中的类)
ConvergeChecker(featurebox.cli.vasp_converge 中的类)
convert() (featurebox.featurizers.base_feature.BaseFeature 方法)
convert() (featurebox.featurizers.base_feature.ConverterCat 方法)
convert() (featurebox.featurizers.base_feature.ConverterSequence 方法)
convert() (featurebox.featurizers.base_feature.DummyConverter 方法)
convert() (featurebox.featurizers.batch_feature.BatchFeature 方法)
convert() (featurebox.featurizers.envir.environment.GEONNGet 方法)
convert() (featurebox.featurizers.state.union.UnionFeature 方法)
convert_dict() (featurebox.featurizers.atom.mapper.AtomJsonMap 方法)
convert_dict() (featurebox.featurizers.atom.mapper.AtomPymatgenPropMap 方法)
convert_dict() (featurebox.featurizers.atom.mapper.AtomTableMap 方法)
convert_dict() (featurebox.featurizers.atom.mapper.BinaryMap 方法)
convert_dict() (featurebox.featurizers.state.statistics.BaseCompositionFeature 方法)
convert_dict() (featurebox.featurizers.state.statistics.DepartElementFeature 方法)
convert_number() (featurebox.featurizers.atom.mapper.AtomJsonMap 方法)
convert_number() (featurebox.featurizers.atom.mapper.AtomPymatgenPropMap 方法)
convert_number() (featurebox.featurizers.atom.mapper.AtomTableMap 方法)
convert_number() (featurebox.featurizers.atom.mapper.BinaryMap 方法)
convert_number() (featurebox.featurizers.state.statistics.BaseCompositionFeature 方法)
convert_number() (featurebox.featurizers.state.statistics.DepartElementFeature 方法)
Converter()(在 featurebox.featurizers.base_feature 模块中)
ConverterCat(featurebox.featurizers.base_feature 中的类)
ConverterSequence(featurebox.featurizers.base_feature 中的类)
cv_predict()(在 featurebox.utils.quickmethod 模块中)
D
data_fetcher() (featurebox.data.mp_access.MpAccess 方法)
DataSameSep(featurebox.data.data_sep 中的类)
dbc_part_atom_num() (featurebox.cli.vasp_dos.Dosxyz 方法)
dbc_part_atom_type() (featurebox.cli.vasp_dos.Dosxyz 方法)
DBCPy(featurebox.cli.vasp_dbc 中的类)
DBCStartInter(featurebox.cli.vasp_dbc 中的类)
DBCStartSingleResult(featurebox.cli.vasp_dbc 中的类)
DBCStartZero(featurebox.cli.vasp_dbc 中的类)
DBCxyzPathOut(featurebox.cli.vasp_dbc 中的类)
DepartElementFeature(featurebox.featurizers.state.statistics 中的类)
dict_me()(在 featurebox.utils.quickmethod 模块中)
dict_method_clf()(在 featurebox.utils.quickmethod 模块中)
dict_method_reg()(在 featurebox.utils.quickmethod 模块中)
DosPy(featurebox.cli.vasp_dos 中的类)
DosxyzPathOut(featurebox.cli.vasp_dos 中的类)
Dosxyz(featurebox.cli.vasp_dos 中的类)
DummyConverter(featurebox.featurizers.base_feature 中的类)
E
eigenvalues()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
extract()(featurebox.cli.vasp_bader.BaderStartZero 静态方法)
extract()(featurebox.cli.vasp_dbc.DBCStartZero 静态方法)
extract()(featurebox.cli.vasp_dbc.DBCxyzPathOut 静态方法)
ExtraMix(featurebox.featurizers.state.statistics 中的类)
F
feature_labels(featurebox.featurizers.atom.mapper.AtomPymatgenPropMap 属性)
feature_labels(featurebox.featurizers.atom.mapper.AtomTableMap 属性)
feature_labels(featurebox.featurizers.base_feature.BaseFeature 属性)
feature_labels(featurebox.featurizers.batch_feature.BatchFeature 属性)
featurebox
模块
featurebox.cli
模块
featurebox.cli.vasp_bader
模块
featurebox.cli.vasp_bgp
模块
featurebox.cli.vasp_chg_diff
模块
featurebox.cli.vasp_cohp
模块
featurebox.cli.vasp_converge
模块
featurebox.cli.vasp_dbc
模块
featurebox.cli.vasp_dos
模块
featurebox.cli.vasp_general_diff
模块
featurebox.cli.vasp_general_single
模块
featurebox.data
模块
featurebox.data.check_data
模块
featurebox.data.data_sep
模块
featurebox.data.mp_access
模块
featurebox.data.namesplit
模块
featurebox.featurizers
模块
featurebox.featurizers.atom
模块
featurebox.featurizers.atom.mapper
模块
featurebox.featurizers.base_feature
模块
featurebox.featurizers.batch_feature
模块
featurebox.featurizers.envir
模块
featurebox.featurizers.envir.desc_env
模块
featurebox.featurizers.envir.descriptors
模块
featurebox.featurizers.envir.environment
模块
featurebox.featurizers.envir.local_env
模块
featurebox.featurizers.state
模块
featurebox.featurizers.state.extrastats
模块
featurebox.featurizers.state.state_mapper
模块
featurebox.featurizers.state.statistics
模块
featurebox.featurizers.state.union
模块
featurebox.selection
模块
featurebox.utils
模块
featurebox.utils.general
模块
featurebox.utils.predefined_typing
模块
featurebox.utils.quickmethod
模块
fit() (featurebox.featurizers.base_feature.BaseFeature 方法)
fit_transform() (featurebox.featurizers.base_feature.BaseFeature 方法)
fit_transform() (featurebox.featurizers.state.union.PolyFeature 方法)
fit_transform() (featurebox.featurizers.state.union.UnionFeature 方法)
flatten()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
from_list()(featurebox.data.check_data.CheckElements 类方法)
from_pymatgen_structures()(featurebox.data.check_data.CheckElements 类方法)
G
GeneralDiff(featurebox.cli.vasp_general_diff 中的类)
General(featurebox.cli.vasp_general_single 中的类)
geo_refine_nn()(在 featurebox.featurizers.envir.environment 模块中)
geom_std_dev()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
GeometricMean(featurebox.featurizers.state.statistics 中的类)
GEONNGet(featurebox.featurizers.envir.environment 中的类)
get_5_result()(在 featurebox.featurizers.envir.desc_env 模块中)
get_atom_fea_name()(在 featurebox.featurizers.atom.mapper 模块中)
get_atom_fea_number()(在 featurebox.featurizers.atom.mapper 模块中)
get_atom_pdos()(在 featurebox.cli.vasp_dos 模块中)
get_atom_pdos_center()(在 featurebox.cli.vasp_dbc 模块中)
get_csv_embeddings()(featurebox.featurizers.atom.mapper.AtomMap 静态方法)
get_ele_embeddings()(featurebox.featurizers.atom.mapper.AtomTableMap 静态方法)
get_ele_pdos()(在 featurebox.cli.vasp_dos 模块中)
get_ele_pdos_center()(在 featurebox.cli.vasp_dbc 模块中)
get_ids() (featurebox.data.mp_access.MpAccess 方法)
get_ids_from_web_table() (featurebox.data.mp_access.MpAccess 方法)
get_ion_fea_name()(在 featurebox.featurizers.atom.mapper 模块中)
get_json_embeddings()(featurebox.featurizers.atom.mapper.AtomMap 静态方法)
get_marked_class()(在 featurebox.featurizers.envir.environment 模块中)
get_nn_info() (featurebox.featurizers.envir.local_env.AllAtomPairs 方法)
get_nn_info() (featurebox.featurizers.envir.local_env.MinimumDistanceNNAll 方法)
get_radius() (featurebox.featurizers.envir.environment.GEONNGet 方法)
get_strategy1() (featurebox.featurizers.envir.environment.GEONNGet 方法)
get_strategy1_in_spheres()(在 featurebox.featurizers.envir.local_env 模块中)
get_strategy2() (featurebox.featurizers.envir.environment.GEONNGet 方法)
get_strategy2_in_spheres()(在 featurebox.featurizers.envir.desc_env 模块中)
get_xyz() (featurebox.featurizers.envir.environment.GEONNGet 方法)
H
HarmonicMean(featurebox.featurizers.state.statistics 中的类)
holder_mean()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
I
inverse_mean()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
K
kurtosis()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
M
mark_classes()(在 featurebox.featurizers.envir.desc_env 模块中)
mark_classes()(在 featurebox.featurizers.envir.local_env 模块中)
maximum()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
MaxPooling(featurebox.featurizers.state.statistics 中的类)
mean()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
method_pack()(在 featurebox.utils.quickmethod 模块中)
minimum()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
MinimumDistanceNNAll(featurebox.featurizers.envir.local_env 中的类)
MinPooling(featurebox.featurizers.state.statistics 中的类)
mix_function() (featurebox.featurizers.state.statistics.BaseCompositionFeature 方法)
mix_function() (featurebox.featurizers.state.statistics.DepartElementFeature 方法)
mix_function() (featurebox.featurizers.state.statistics.ExtraMix 方法)
mix_function() (featurebox.featurizers.state.statistics.GeometricMean 方法)
mix_function() (featurebox.featurizers.state.statistics.HarmonicMean 方法)
mix_function() (featurebox.featurizers.state.statistics.MaxPooling 方法)
mix_function() (featurebox.featurizers.state.statistics.MinPooling 方法)
mix_function() (featurebox.featurizers.state.statistics.WeightedAverage 方法)
mix_function() (featurebox.featurizers.state.statistics.WeightedSum 方法)
mix_function() (featurebox.featurizers.state.statistics.WeightedVariance 方法)
mode()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
MpAccess(featurebox.data.mp_access 中的类)
N
n_jobs(featurebox.featurizers.base_feature.BaseFeature 属性)
NameSplit(featurebox.data.namesplit 中的类)
number_of_channels(featurebox.cli.vasp_dos.Dosxyz 属性)
number_of_header_lines(featurebox.cli.vasp_dos.Dosxyz 属性)
P
pack_score()(在 featurebox.utils.quickmethod 模块中)
passed_idx() (featurebox.data.check_data.CheckElements 方法)
pdos_by_atom_num() (featurebox.cli.vasp_dos.Dosxyz 方法)
pdos_by_atom_type() (featurebox.cli.vasp_dos.Dosxyz 方法)
pdos_by_spdf() (featurebox.cli.vasp_dos.Dosxyz 方法)
pdos_by_spdf_atom_num() (featurebox.cli.vasp_dos.Dosxyz 方法)
pdos_by_spdf_atom_type() (featurebox.cli.vasp_dos.Dosxyz 方法)
pdos_by_spdf_xyz_atom_num() (featurebox.cli.vasp_dos.Dosxyz 方法)
pdos_by_spdf_xyz_atom_type() (featurebox.cli.vasp_dos.Dosxyz 方法)
pdos_column_names()(featurebox.cli.vasp_dos.Dosxyz 静态方法)
pdos_select() (featurebox.cli.vasp_dos.Dosxyz 方法)
pdos_sum() (featurebox.cli.vasp_dos.Dosxyz 方法)
PolyFeature(featurebox.featurizers.state.union 中的类)
process_atomic_orbitals()(在 featurebox.featurizers.atom.mapper 模块中)
process_bool_transition_metal()(在 featurebox.featurizers.atom.mapper 模块中)
process_header() (featurebox.cli.vasp_dos.Dosxyz 方法)
process_tuple_full_electronic_structure()(在 featurebox.featurizers.atom.mapper 模块中)
process_tuple_oxidation_states()(在 featurebox.featurizers.atom.mapper 模块中)
process_uni()(在 featurebox.featurizers.atom.mapper 模块中)
PropertyStats(featurebox.featurizers.state.extrastats 中的类)
Q
quantile()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
R
range()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
read() (featurebox.cli.vasp_bader.BaderStartSingleResult 方法)
read() (featurebox.cli.vasp_bgp.BandGapStartSingleResult 方法)
read() (featurebox.cli.vasp_cohp.COHPStartSingleResult 方法)
read() (featurebox.cli.vasp_dbc.DBCStartSingleResult 方法)
read()(featurebox.cli.vasp_bader.BaderStartZero 静态方法)
read()(featurebox.cli.vasp_bgp.BandGapStartZero 静态方法)
read()(featurebox.cli.vasp_cohp.COHPStartZero 静态方法)
read()(featurebox.cli.vasp_dbc.DBCStartZero 静态方法)
read_atomic_dos_as_df() (featurebox.cli.vasp_dos.Dosxyz 方法)
read_header() (featurebox.cli.vasp_dos.Dosxyz 方法)
read_projected_dos() (featurebox.cli.vasp_dos.Dosxyz 方法)
replace() (featurebox.data.data_sep.DataSameSep 方法)
replace_entry() (featurebox.data.data_sep.DataSameSep 方法)
run() (featurebox.cli.vasp_bader.BaderStartInter 方法)
run() (featurebox.cli.vasp_bader.BaderStartSingleResult 方法)
run() (featurebox.cli.vasp_bader.BaderStartZero 方法)
run() (featurebox.cli.vasp_bgp.BandGapPy 方法)
run() (featurebox.cli.vasp_bgp.BandGapStartInter 方法)
run() (featurebox.cli.vasp_bgp.BandGapStartSingleResult 方法)
run() (featurebox.cli.vasp_bgp.BandGapStartZero 方法)
run() (featurebox.cli.vasp_cohp.COHPStartInter 方法)
run() (featurebox.cli.vasp_cohp.COHPStartSingleResult 方法)
run() (featurebox.cli.vasp_cohp.COHPStartZero 方法)
run() (featurebox.cli.vasp_converge.ConvergeChecker 方法)
run() (featurebox.cli.vasp_dbc.DBCPy 方法)
run() (featurebox.cli.vasp_dbc.DBCStartInter 方法)
run() (featurebox.cli.vasp_dbc.DBCStartSingleResult 方法)
run() (featurebox.cli.vasp_dbc.DBCStartZero 方法)
run() (featurebox.cli.vasp_dbc.DBCxyzPathOut 方法)
run() (featurebox.cli.vasp_dos.DosPy 方法)
run() (featurebox.cli.vasp_dos.DosxyzPathOut 方法)
run() (featurebox.cli.vasp_general_diff.GeneralDiff 方法)
run() (featurebox.cli.vasp_general_single.General 方法)
S
scale() (featurebox.cli.vasp_dos.Dosxyz 方法)
set_feature_labels() (featurebox.featurizers.base_feature.BaseFeature 方法)
set_feature_labels() (featurebox.featurizers.batch_feature.BatchFeature 方法)
set_feature_labels() (featurebox.featurizers.state.statistics.DepartElementFeature 方法)
set_feature_labels() (featurebox.featurizers.state.union.PolyFeature 方法)
set_feature_labels() (featurebox.featurizers.state.union.UnionFeature 方法)
settle() (featurebox.data.data_sep.DataSameSep 方法)
settle_to_pd() (featurebox.data.data_sep.DataSameSep 方法)
skewness()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
sorted()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
spilt() (featurebox.data.data_sep.DataSameSep 方法)
std_dev()(featurebox.featurizers.state.extrastats.PropertyStats 静态方法)
StructurePymatgenPropMap(featurebox.featurizers.state.state_mapper 中的类)
sums()(featurebox.featurizers.base_feature.ConverterCat 静态方法)
T
transform() (featurebox.data.namesplit.NameSplit 方法)
transform() (featurebox.featurizers.base_feature.BaseFeature 方法)
transform() (featurebox.featurizers.state.union.UnionFeature 方法)
transform_with_zip() (featurebox.featurizers.base_feature.BaseFeature 方法)
U
UnionFeature(featurebox.featurizers.state.union 中的类)
update() (featurebox.data.data_sep.DataSameSep 方法)
update_entry() (featurebox.data.data_sep.DataSameSep 方法)
update_entry_kv() (featurebox.data.data_sep.DataSameSep 方法)
update_from_pd() (featurebox.data.data_sep.DataSameSep 方法)
UserVoronoiNN(featurebox.featurizers.envir.local_env 中的类)
W
WeightedAverage(featurebox.featurizers.state.statistics 中的类)
WeightedSum(featurebox.featurizers.state.statistics 中的类)
WeightedVariance(featurebox.featurizers.state.statistics 中的类)
模
模块
featurebox
featurebox.cli
featurebox.cli.vasp_bader
featurebox.cli.vasp_bgp
featurebox.cli.vasp_chg_diff
featurebox.cli.vasp_cohp
featurebox.cli.vasp_converge
featurebox.cli.vasp_dbc
featurebox.cli.vasp_dos
featurebox.cli.vasp_general_diff
featurebox.cli.vasp_general_single
featurebox.data
featurebox.data.check_data
featurebox.data.data_sep
featurebox.data.mp_access
featurebox.data.namesplit
featurebox.featurizers
featurebox.featurizers.atom
featurebox.featurizers.atom.mapper
featurebox.featurizers.base_feature
featurebox.featurizers.batch_feature
featurebox.featurizers.envir
featurebox.featurizers.envir.desc_env
featurebox.featurizers.envir.descriptors
featurebox.featurizers.envir.environment
featurebox.featurizers.envir.local_env
featurebox.featurizers.state
featurebox.featurizers.state.extrastats
featurebox.featurizers.state.state_mapper
featurebox.featurizers.state.statistics
featurebox.featurizers.state.union
featurebox.selection
featurebox.utils
featurebox.utils.general
featurebox.utils.predefined_typing
featurebox.utils.quickmethod
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