pymatgen-core

Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently t…

Installation

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

pip3 install pymatgen-core

Dependencies

Releases

Version Released Bookworm
Python 3.11
Trixie
Python 3.13
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Page last updated 2026-09-03 10:32:07 UTC