piwheels

CompDesc

Compute molecular descriptors 1D, 2D and 3D from a SMILES string ligand

Installation

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

pip3 install compdesc

Dependencies

• None

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
1.0.7	2025-06-12
compdesc-1.0.7-py3-none-any.whl (48 KB)
1.0.6	2025-02-18
CompDesc-1.0.6-py3-none-any.whl (49 KB)
1.0.5	2025-02-18
CompDesc-1.0.5-py3-none-any.whl (49 KB)

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