Projects in Awesome Lists tagged with pymatgen

A curated list of projects in awesome lists tagged with pymatgen .

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https://github.com/beautiful-atoms/beautiful-atoms

Python module for drawing and rendering beautiful atoms and molecules using Blender.

3d ase atomic atoms blender crystal molecule protein pymatgen python rendering ribbon-diagram

Last synced: 12 Apr 2025

https://github.com/santoshkumarradha/pysktb

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

ase atomic-simulation-environment band-structure computational-physics condensed dft electronic-structure electronic-structure-calculations hamiltonian physics pymatgen python quantum slater-koster tight-binding topological-insulator topological-insulators topology

Last synced: 15 Apr 2025

https://github.com/lamalab-org/structuregraph-helpers

Helpers for working with pymatgen structure graphs.

chemistry computational-materials-science graph materials-informatics materials-science pymatgen structure structure-graph

Last synced: 13 Apr 2025

https://github.com/santoshkumarradha/pyquestaal

Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure programs.

ase atomic-simulation-environment condensed-matter-physics dft electronic-structure gw physics pymatgen python qsgw questaal

Last synced: 22 Apr 2025