skchem.pandas_ext.structure_methods module
# skchem.pandas.structure_methods
Tools for adding a default attribute to pandas objects.
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class
skchem.pandas_ext.structure_methods.StructureAccessorMixin[source]
Bases: object
Mixin to bind chemical methods to objects.
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mol
alias of StructureMethods
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class
skchem.pandas_ext.structure_methods.StructureMethods(data)[source]
Bases: pandas.core.base.NoNewAttributesMixin
Accessor for calling chemical methods on series of molecules.
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add_hs(**kwargs)[source]
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atoms
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remove_hs(**kwargs)[source]
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visualize(fper='morgan', dim_red='tsne', dim_red_kw=None, **kwargs)[source]
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skchem.pandas_ext.structure_methods.only_contains_mols(ser)[source]