chemplot
A python library for chemical space visualization.
A python library for chemical space visualization.
To install this package, run one of the following:
In the last decades, Machine Learning (ML) applications have had a great impact on molecular and material science. However, every ML model requires a definition of its applicability domain. Chemplot is a python library for chemical space visualization that allows users to plot the chemical space of their datasets. Chemplot contains smart algorithms behind which uses both structural and tailored similarity. Moreover, it is easy to use even for non-experts.
Summary
A python library for chemical space visualization.
Last Updated
Dec 12, 2024 at 14:25
License
BSD-3-Clause
Total Downloads
7.4K
Supported Platforms
GitHub Repository
https://github.com/mcsorkun/ChemPlotDocumentation
https://chemplot.readthedocs.io/en/latest/