/tools/ChemPlot

ChemPlot

mcsorkun/ChemPlot

150 stars35 forksJupyter NotebookWebsiteAdded February 4, 2026
summary

ChemPlot is a Python library that enables users to visualize the chemical space of molecular datasets in two dimensions. It employs various dimensionality reduction techniques and similarity algorithms to group similar molecules, facilitating the analysis of molecular properties.

description

A python package for chemical space visualization.

topics

chemical-spacecheminformaticsdata-visualizationdimensionality-reduction

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