Symmetry Python Packages

pyxtal

A code to generate atomic structure with symmetry

posym

Point symmetry analysis tool for theoretical chemistry objects

symgroupy

Continuous symmetry measures of molecular structures

wfnsympy

Continuous symmetry measures of molecular structures

nicole

Nicole: a symmetry-aware tensor library

pointgroup

Python library to determine the point group of molecular geometries

pycrystallography

Python 3 package for illustrating crystallography

geom3d

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

motif-learn

🔬motif-learn: machine learning in scanning transmission electron microscopy

symmray

A minimal block sparse symmetric and fermionic tensor python library

yuzuha

Yuzuha: SU(2) Protocol for Tensor Networks

kasal-6d

[TIP'24] Key-Axis-based Symmetry Axis Localization (Tags: rotational symmetry; rotation; symmetry; symmetry axis; pose estimation; 6DoF; BOP Challenge; toolkit)

ring-seq-py

A Pythonic class for sequences considered circular

pysymmetry

Python library for symmetry, group theory, and quantum physics applications

zpe-mental

Tunnel, spiral, lattice, cobweb — byte-exact codec on the bounded four-form corpus. Rust-native fast path with a Python reference. Not a cognition or clinical claim.

symdet

A python package using machine learning to study symmetry.

xcore

Crystallographic space group library in Python

ltb-symm

LTB-Symm is a publicly available code that does two things: large scale tight-binding (LTB) calculation of 2D materials, and checks topological symmetries (Symm) of their wave functions.