Symmetry Python Packages

pyxtal

A code to generate atomic structure with symmetry

posym

Point symmetry analysis tool for theoretical chemistry objects

cristma

CrIStMa — Crystallographic Infrastructure for Structures and Materials. Beta · Python 3.11+ · NumPy-only scientific library.

symgroupy

Continuous symmetry measures of molecular structures

wfnsympy

Continuous symmetry measures of molecular structures

dualgnn

Demo code from the dualGNN paper. Includes inference and training, as well as grow2d and pushing

symmray

A minimal block sparse symmetric and fermionic tensor python library

nicole

Nicole: a symmetry-aware tensor library for many-body systems

tencirpauli

Rust accelerator for operator manipulation for TensorCircuit-NG

pycrystallography

Python 3 package for illustrating crystallography

kasal-6d

[CVPR'26] KASALv2; [TIP'24] KASALv1 (Tags: rotational symmetry; rotation; symmetry; symmetry axis; pose estimation; 6DoF; BOP Challenge; toolkit)

pointgroup

Python library to determine the point group of molecular geometries

pysymmetry

Python库：描述对称性并实现其在物理学中的应用

yuzuha

Yuzuha: SU(2) recoupling engine for tensor network algorithms

kasalv2

[CVPR'26] KASALv2; [TIP'24] KASALv1 (Tags: rotational symmetry; rotation; symmetry; symmetry axis; pose estimation; 6DoF; BOP Challenge; toolkit)

groupoid

Pre-alpha groupoid/sheaf/Riemannian aggregation prototype for federated learning; tested math components, not production FL.

ring-seq-py

A Pythonic class for sequences considered circular — rotations, reflections, necklace canonical forms, symmetry detection, and more.

xcore

Crystallographic space group library in Python

motif-learn

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

geom3d

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

imgsym

Toolkit to detect symmetry axes in images and score mirror symmetry along them.

symdet

A python package using machine learning to study symmetry.

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.

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.