MLChemTools

MLChemTools is a powerful Python package facilitating seamless integration of machine learning classifiers, regressors, and descriptor generators for efficient cheminformatics analysis.

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install mlchemtools

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
0.0.21 2024-03-20    

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Page last updated 2025-07-17 23:50:46 UTC