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API documentation

ChemPlot principal class is :class:`Plotter`. It receives a list of molecules as a parameter in order to then use different functions for plotting the data in two dimensions. All the main functions of ChemPlot are part of the :class:`Plotter`. There are however two more functions outside of :class:`Plotter`, which can be used to access the sample datasets.

.. currentmodule:: chemplot

chemplot.Plotter

.. autoclass:: Plotter

    .. automethod:: from_smiles

    .. automethod:: from_inchi

    .. automethod:: pca

    .. automethod:: tsne

    .. automethod:: umap

    .. automethod:: cluster

    .. automethod:: visualize_plot

    .. automethod:: interactive_plot

Utils

.. autofunction:: load_data

.. autofunction:: info_data