Awesome Python Math Packages

Python packages for mathematics, from algebra and analysis to geometry, statistics, optimization, and topology.

Contributions are welcome! Read the contribution guidelines first.

• Algebra
• Analysis
• Animations and Images
• Dynamical Systems
• General Mathematics
• Geometry
• Graph Theory
• Group Theory
• Learning Math
• Linear Algebra
• Number Theory
• Optimization
• Probability and Statistics
• Topology
• Others

• clifford - Geometric Algebra (Clifford algebra) for Python.
• fxpmath - A Python library for fractional fixed-point (base 2) arithmetic and binary manipulation.
• galgebra - Symbolic Geometric Algebra/Calculus package for SymPy.
• Galois - A performant NumPy extension for Galois fields and their applications.
• kingdon - A symbolically optimized Geometric Algebra library with PyTorch/NumPy/SymPy compatibility and ganja.js visualization.
• pixell - A rectangular pixel map manipulation and harmonic analysis library derived from Sigurd Naess' enlib.
• Plabic - Cluster algebraic/geometric structures related to plabic graphs.
• PyQuaternion - A fully featured, pythonic library for representing and using quaternions.
• multivar_horner - Python package implementing a multivariate Horner scheme for efficiently evaluating multivariate polynomials.
• Quaternion - Add built-in support for quaternions to NumPy.

• chaospy - Toolbox for performing uncertainty quantification with polynomial chaos expansions.
• chebpy - A Python implementation of Chebfun.
• dedalus - A flexible framework for solving PDEs with modern spectral methods.
• devito - DSL and compiler framework for automated finite-differences and stencil computation.
• diffrax - Numerical differential equation solvers in JAX; autodifferentiable and GPU-capable.
• dolfinx - Next generation FEniCS problem solving environment for solving PDEs with the finite element method.
• findiff - Python package for numerical derivatives and partial differential equations in any number of dimensions.
• FiPy - A finite volume PDE solver written in Python.
• firedrake - An automated system for the portable solution of partial differential equations using the finite element method.
• foof - Parameterizing neural power spectra into periodic & aperiodic components.
• harmonica - Forward modeling, inversion, and processing gravity and magnetic data.
• MutatorMath - Python library for piecewise linear interpolation in multiple dimensions with multiple, arbitrarily placed, masters.
• NGSolve - High performance multiphysics finite element software with a flexible Python interface.
• numdifftools - Solve automatic numerical differentiation problems in one or more variables.
• PyAbel - A Python package for Abel and inverse Abel transforms.
• pyFFTW - A pythonic wrapper around FFTW, the fast Fourier transform library.
• pykoopman - A package for computing data-driven approximations to the Koopman operator.
• py-pde - Python package for solving partial differential equations using finite differences.
• PyWavelets - Wavelet transforms in Python.
• quadpy - Numerical integration (quadrature, cubature) in Python.
• scikit-fem - Simple finite element assemblers.
• scikit-fmm - A Python extension module implementing the fast marching method.
• sfepy - Software for solving systems of coupled partial differential equations (PDEs) by the finite element method in 1D, 2D and 3D.
• SHTOOLS - Spherical Harmonic Tools.
• torchdiffeq - Differentiable ODE solvers with full GPU support and O(1)-memory backpropagation.
• torchquad - Numerical integration in arbitrary dimensions on the GPU using PyTorch / TF / JAX.

• Hyperbolic wythoff - Draw the Wythoff construction of uniform tilings in hyperbolic plane.
• ManimGL - 3Blue1Brown's animation engine for explanatory math videos.
• Manim - A community-maintained Python framework for creating mathematical animations.

• dysts - A database of hundreds of chaotic systems and strange attractors.
• jitcdde - Just-in-time compilation for delay differential equations.
• jitcode - Just-in-time compilation for ordinary differential equations.
• nolds - Nonlinear measures for dynamical systems (Lyapunov exponents, correlation dimension, Hurst exponent, ...).
• parcels - Main code for Parcels (Probably A Really Computationally Efficient Lagrangian Simulator).
• PyDMD - Dynamic Mode Decomposition in Python.
• PyNamical - Modeling and visualizing discrete nonlinear dynamical systems, chaos, and fractals.
• PySINDy - Sparse identification of nonlinear dynamical systems from data.

• AxiomPy - A Python library for advance mathematics operations.
• cypari2 - Python interface to the number theory library PARI/GP.
• diofant - A Python computer algebra system (CAS), originally a fork of SymPy.
• gmpy2 - General multiple-precision arithmetic for Python (GMP, MPFR, MPC).
• Mathics - A free, general-purpose computer algebra system featuring Wolfram Language compatibility.
• mpmath - A Python library for arbitrary-precision floating-point arithmetic.
• passagemath - A modularized, pip-installable fork of SageMath.
• pymbolic - A simple package to do symbolic math (focus on code generation and DSLs).
• Sage - SageMath, a free open-source mathematics software system (computer algebra system).
• SciPy - Open-source software for mathematics, science, and engineering, with modules for statistics, optimization, integration, linear algebra, Fourier transforms, signal and image processing, ODE solvers, and more.
• SimPy - A computer algebra system written in pure Python.
• SymEngine - Python wrappers for SymEngine, a fast symbolic manipulation library written in C++.

• boule - Reference ellipsoids for geodesy and geophysics.
• CGAL bindings - Python bindings for CGAL, the Computational Geometry Algorithms Library.
• COMPAS - Core library of the COMPAS framework for research in architecture, engineering and digital fabrication.
• geomstats - Computations and statistics on manifolds with geometric structures.
• gpytoolbox - A collection of utility functions to prototype geometry processing research in Python.
• libigl - Python bindings for libigl, a geometry processing library.
• Manifold - Geometry library for topologically robust mesh Boolean operations.
• NURBS-Python - Object-oriented pure Python B-Spline and NURBS library.
• polytope - Geometric operations on polytopes of any dimension.
• potpourri3d - 3D geometry tools in Python: geodesic distances, heat methods, mesh and point cloud processing.
• pymanopt - Python toolbox for optimization on Riemannian manifolds with support for automatic differentiation.
• pytransform3d - 3D transformations for Python.
• roma - A lightweight library to deal with 3D rotations in PyTorch.
• shapely - Manipulation and analysis of geometric objects in the Cartesian plane.
• trimesh - Python library for loading and using triangular meshes.

• cuGraph - RAPIDS GPU-accelerated graph analytics library.
• EasyGraph - A network analysis library covering structural hole spanners, network embedding, and classic network analysis.
• GraKeL - A scikit-learn compatible library for graph kernels.
• graph-theory - A simple graph library.
• graphblas-algorithms - Graph algorithms written in GraphBLAS.
• Graphillion - Fast, lightweight library for operations on huge sets of graphs.
• networkit - A toolkit for large-scale network analysis.
• networkx - Creation, manipulation, and study of the structure, dynamics and functions of complex networks.
• PrRGG - Python Random Graph Generator.
• python-igraph - Python interface for the igraph high-performance graph library.
• rustworkx - A high-performance Python graph library implemented in Rust.

• bella - New computational package for small-rank matrix groups.
• e3nn - A modular framework for neural networks with Euclidean symmetry (irreducible representations of O(3)).
• jaxlie - Rigid transforms and Lie groups (SO(2), SE(2), SO(3), SE(3)) for JAX.
• Liegroups - Python implementation of SO2, SE2, SO3, and SE3 matrix Lie groups using NumPy or PyTorch.
• manif - A small library for Lie theory with Python bindings.
• Permuta - A native Python library for permutation pattern research.
• Permutation - Permutations of finitely many positive integers.
• spglib - A library for finding and handling crystal symmetries (space groups).
• spgrep - On-the-fly generator of space-group irreducible representations.
• symmetria - An intuitive, thorough, and comprehensive framework for interacting with the symmetric group and its elements.

• MathGenerator - A math problem generator, created for the purpose of giving teachers and students the means to easily get access to random math exercises to suit their needs.
• PyWonderland - A tour in the wonderland of math with Python.

• CoLA - Compositional linear algebra for large-scale structured matrices.
• lineax - Linear solvers in JAX and Equinox.
• matfree - Matrix-free linear algebra in JAX.
• NumPy - The fundamental package for scientific computing with Python.
• opt_einsum - Optimizing einsum functions in NumPy, TensorFlow, Dask, and more with contraction order optimization.
• PyAMG - Algebraic multigrid solvers in Python.
• python-graphblas - Python library for GraphBLAS: high-performance sparse linear algebra for scalable graph analytics.
• scikit-sparse - Sparse matrix tools extending scipy.sparse (CHOLMOD sparse Cholesky decomposition).
• sparse - Multi-dimensional sparse arrays for the PyData ecosystem.
• Spatial Maths for Python - Create, manipulate and convert representations of position and orientation in 2D or 3D using Python.
• PentaPy - A Python toolbox for pentadiagonal linear systems.
• PyLops - A Linear-Operator Library for Python.
• PyParadiso - Python interface to the Intel MKL Pardiso library to solve large sparse linear systems of equations.
• Poisson-solver-2D - Finite difference solution of 2D Poisson equation. Can handle Dirichlet, Neumann and mixed boundary conditions.
• scikit-spatial - Spatial objects and computations based on NumPy arrays.
• TensorLy - Tensor decomposition, tensor algebra and tensor regression in Python.

• continuedfractions - Object-oriented continued fractions with Python.
• primesieve-Python - Fast prime number generator. Python bindings for the primesieve C++ library.
• pyadic - P-Adic numbers and finite fields in Python.
• python-flint - Python bindings for FLINT (Fast Library for Number Theory) and Arb.
• oeis - Newcomer friendly project implementing a few oeis.org sequences.

• BayesianOptimization - A Python implementation of global optimization with Gaussian processes.
• BoTorch - Bayesian optimization in PyTorch.
• CasADi - A symbolic framework for numeric optimization with algorithmic differentiation.
• CVXOPT - Python software for convex optimization.
• cvxpy - A Python-embedded modeling language for convex optimization problems.
• DEAP - Distributed Evolutionary Algorithms in Python.
• GEKKO - Optimization suite for mixed-integer, nonlinear and dynamic optimization.
• HiGHS - High performance linear, mixed-integer and quadratic optimization software with a Python interface (highspy).
• linopy - Linear optimization with N-D labeled arrays in Python.
• Nevergrad - A Python toolbox for gradient-free optimization.
• NLopt - A library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained optimization.
• optax - A gradient processing and optimization library for JAX.
• optimistix - Nonlinear optimisation (root-finding, least squares, minimisation) in JAX and Equinox.
• OR-Tools - Google's operations research tools for combinatorial optimization, linear programming and constraint programming.
• OSQP - Python interface for OSQP, the Operator Splitting Quadratic Program solver.
• PuLP - A Python linear programming API.
• pymoo - Multi-objective optimization in Python (NSGA-II, NSGA-III, MOEA/D, and more).
• Pyomo - An object-oriented algebraic modeling language in Python for structured optimization problems.
• PySCIPOpt - Python interface for the SCIP Optimization Suite.
• Python-MIP - Python tools for the modeling and solution of mixed-integer linear programs.
• qpsolvers - Quadratic programming solvers in Python with a unified API.

• arch - Autoregressive conditional heteroskedasticity (ARCH) and other volatility models in Python.
• ArviZ - Exploratory analysis of Bayesian models.
• Bambi - BAyesian Model-Building Interface (Bambi) in Python.
• BlackJAX - A Bayesian inference library designed for ease of use, speed and modularity.
• CmdStanPy - A lightweight Python interface to Stan.
• dynesty - Dynamic nested sampling package for computing Bayesian posteriors and evidences.
• emcee - The Python ensemble sampling toolkit for affine-invariant MCMC.
• GPJax - Gaussian processes in JAX and Equinox.
• icepool - Python dice probability package.
• lifelines - Survival analysis in Python.
• linearmodels - Instrumental variable and panel data models missing from statsmodels.
• lmfit - Non-linear least-squares minimization and curve fitting.
• NumPyro - Probabilistic programming with NumPy powered by JAX for autograd and JIT compilation.
• obscure_stats - A small collection of lesser-known statistical measures.
• OpenTURNS - Probabilistic modelling and uncertainty quantification library.
• particles - Sequential Monte Carlo in Python.
• pgmpy - Python toolkit for causal and probabilistic reasoning with graphical models.
• Pingouin - Statistical package in Python based on Pandas.
• pomegranate - Fast, flexible and easy to use probabilistic modelling in Python.
• PyAutoFit - Classy probabilistic programming.
• pyGAM - Generalized Additive Models in Python.
• PyMC - Bayesian modeling and probabilistic programming in Python.
• Pyro - Deep universal probabilistic programming with Python and PyTorch.
• SALib - Sensitivity analysis library in Python (Sobol, Morris, FAST, and other methods).
• sbi - A Python package for simulation-based inference.
• scikit-posthocs - Multiple pairwise comparisons (post hoc) tests in Python.
• Statsmodels - Statistical modeling and econometrics in Python.
• thejoker - A custom Monte Carlo sampler for the (gravitational) two-body problem.
• UltraNest - Fit and compare complex models reliably and rapidly with advanced nested sampling.

• Dionysus - Library for computing persistent homology.
• GUDHI - A generic library with a Python interface for topological data analysis and higher-dimensional geometry.
• kepler-mapper - A flexible Python implementation of the Mapper algorithm for topological data analysis.
• persim - Distances and representations of persistence diagrams.
• Regina - Software for low-dimensional topology: 3-manifolds, 4-manifolds, knots and normal surfaces.
• ripser.py - A lean persistent homology library for Python.
• scikit-tda - Topological data analysis for Python.
• SnapPy - A package for studying the topology and geometry of 3-manifolds, with a focus on hyperbolic structures.
• Spherogram - Planar diagrams arising in 3-dimensional topology, such as link and Heegaard diagrams.
• TopoNetX - Computing on topological domains: simplicial, cell and combinatorial complexes.

• autograd - Efficiently computes derivatives of NumPy code.
• Axelrod - A research tool for the Iterated Prisoner's Dilemma and other game-theoretic tournaments.
• Gambit - Software tools for computation in game theory.
• handcalcs - Convert Python calculations into rendered LaTeX.
• LaTeX-OCR - Convert images of equations into LaTeX code using a vision transformer.
• LeanDojo - Tool for data extraction and interacting with the Lean theorem prover programmatically.
• MathTranslate - Translate scientific papers with math.
• Nashpy - A Python library for the computation of equilibria of 2-player strategic games.
• Pint - Operate and manipulate physical quantities (units of measurement) in Python.
• portion - Data structure and operations for intervals.
• PySAT - A toolkit for SAT-based prototyping in Python.
• pySMT - A library for SMT formulae manipulation and solving.
• PySymmPol - Manipulation of various symmetric polynomials, and Young diagrams.
• quicktions - Fast fractions reimplementation in Cython.
• uncertainties - Transparent calculation of uncertainties (error propagation) on the quantities involved.
• unyt - Handle, manipulate, and convert data with units in Python.
• Z3 - The Z3 theorem prover, with a Python API.

Packages that are archived, no longer available, or without activity in the last two years are listed in unmaintained.md.