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chemplot

Community

A python library for chemical space visualization.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::chemplot

Usage Tracking

1.3.1
1.2.1
1.2.0
3 / 8 versions selected
Downloads (Last 6 months): 0

Description

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.

About

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

noarch