PyAutoLens — Peer-reviewed • Rank 16.0 • Science 100%

PyAutoLens: Open-Source Strong Gravitational Lensing - Published in JOSS (2021)

quimb — Peer-reviewed • Rank 20.8 • Science 95%

quimb: A python package for quantum information and many-body calculations - Published in JOSS (2018)

DynamicalSystems.jl — Peer-reviewed • Rank 15.4 • Science 100%

DynamicalSystems.jl: A Julia software library for chaos and nonlinear dynamics - Published in JOSS (2018)

toqito -- Theory of quantum information toolkit — Peer-reviewed • Rank 14.8 • Science 100%

toqito -- Theory of quantum information toolkit: A Python package for studying quantum information - Published in JOSS (2021)

The Walrus — Peer-reviewed • Rank 18.4 • Science 95%

The Walrus: a library for the calculation of hafnians, Hermite polynomials and Gaussian boson sampling - Published in JOSS (2019)

qnm — Peer-reviewed • Rank 12.4 • Science 100%

qnm: A Python package for calculating Kerr quasinormal modes, separation constants, and spherical-spheroidal mixing coefficients - Published in JOSS (2019)

Gala — Peer-reviewed • Rank 16.5 • Science 95%

Gala: A Python package for galactic dynamics - Published in JOSS (2017)

<code>gollum</code> — Peer-reviewed • Rank 11.1 • Science 100%

<code>gollum</code>: An intuitive programmatic and visual interface for precomputed synthetic spectral model grids - Published in JOSS (2024)

coxeter — Peer-reviewed • Rank 13.0 • Science 98%

coxeter: A Python package for working with shapes - Published in JOSS (2021)

HylleraasMD — Peer-reviewed • Rank 10.2 • Science 100%

HylleraasMD: Massively parallel hybrid particle-field molecular dynamics in Python - Published in JOSS (2023)

Cadabra2 — Peer-reviewed • Rank 9.9 • Science 100%

Cadabra2: computer algebra for field theory revisited - Published in JOSS (2018)

Cellpy – an open-source library for processing and analysis of battery testing data — Peer-reviewed • Rank 16.3 • Science 93%

Cellpy – an open-source library for processing and analysis of battery testing data - Published in JOSS (2024)

DynamicalBilliards.jl — Peer-reviewed • Rank 9.3 • Science 100%

DynamicalBilliards.jl: An easy-to-use, modular and extendable Julia package for Dynamical Billiard systems in two dimensions. - Published in JOSS (2017)

A Python Library for Pre- and Post-Processing of DAMASK Simulations — Peer-reviewed • Rank 9.2 • Science 100%

A Python Library for Pre- and Post-Processing of DAMASK Simulations - Published in JOSS (2025)

PlanetMapper — Peer-reviewed • Rank 10.4 • Science 98%

PlanetMapper: A Python package for visualising, navigating and mapping Solar System observations - Published in JOSS (2023)

Pooltool — Peer-reviewed • Rank 13.4 • Science 95%

Pooltool: A Python package for realistic billiards simulation - Published in JOSS (2024)

OMEGA-Py — Peer-reviewed • Rank 7.3 • Science 100%

OMEGA-Py: Python Tools for OMEGA Data - Published in JOSS (2024)

OPEM — Peer-reviewed • Rank 13.4 • Science 93%

OPEM : Open Source PEM Cell Simulation Tool - Published in JOSS (2018)

ThermoParser — Peer-reviewed • Rank 6.3 • Science 100%

ThermoParser: Streamlined Analysis of Thermoelectric Properties - Published in JOSS (2024)

calorine — Peer-reviewed • Rank 16.7 • Science 89%

calorine: A Python package for constructing and sampling neuroevolution potential models - Published in JOSS (2024)

RayFlare — Peer-reviewed • Rank 10.1 • Science 95%

RayFlare: flexible optical modelling of solar cells - Published in JOSS (2021)

PIVA: Photoemission Interface for Visualization and Analysis • Rank 9.5 • Science 95%

PIVA: Photoemission Interface for Visualization and Analysis - Published in JOSS (2025)

PySymmPol - Symmetric Polynomials — Peer-reviewed • Rank 5.3 • Science 98%

PySymmPol - Symmetric Polynomials - Published in JOSS (2024)

AGNI — Peer-reviewed • Rank 3.3 • Science 100%

AGNI: A radiative-convective model for lava planet atmospheres - Published in JOSS (2025)

QMix — Peer-reviewed • Rank 6.3 • Science 95%

QMix: A Python package for simulating the quasiparticle tunneling currents in SIS junctions - Published in JOSS (2019)

partycls — Peer-reviewed • Rank 6.1 • Science 95%

partycls: A Python package for structural clustering - Published in JOSS (2021)

GPUE — Peer-reviewed • Rank 6.0 • Science 95%

GPUE: Graphics Processing Unit Gross--Pitaevskii Equation solver - Published in JOSS (2018)

tightbinder — Peer-reviewed • Rank 7.6 • Science 93%

tightbinder: A Python package for semi-empirical tight-binding models of crystalline and disordered solids - Published in JOSS (2024)

pfsspy — Peer-reviewed • Rank 5.4 • Science 95%

pfsspy: A Python package for potential field source surface modelling - Published in JOSS (2020)

QuaCa — Peer-reviewed • Rank 3.3 • Science 95%

QuaCa: an open-source library for fast calculations of steady-state quantum friction - Published in JOSS (2023)

maxsmooth — Peer-reviewed • Rank 4.6 • Science 93%

maxsmooth: Derivative Constrained Function Fitting - Published in JOSS (2020)

SHGYield — Peer-reviewed • Rank 3.6 • Science 93%

SHGYield - Published in JOSS (2017)

feos • Rank 18.6 • Science 77%

FeOs - A Framework for Equations of State and Classical Density Functional Theory

filter-functions • Rank 10.4 • Science 85%

Efficient numerical calculation of generalized filter functions

QComms QKD Software Toolkit — Peer-reviewed • Rank 4.4 • Science 89%

QComms QKD Software Toolkit - Published in JOSS (2019)

pygama • Rank 15.5 • Science 77%

Python package for data processing and analysis

ChaosTools • Rank 13.5 • Science 77%

Tools for the exploration of chaos and nonlinear dynamics

pyerrors • Rank 11.3 • Science 77%

Error propagation and statistical analysis for Monte Carlo simulations in lattice QCD and statistical mechanics using autograd.

nano-qmflows • Rank 10.8 • Science 77%

Package containing several workflows to compute molecular properties for nanomaterials

itensors.jl • Rank 10.5 • Science 77%

A Julia library for efficient tensor computations and tensor network calculations. ITensors.jl is supported by the Simons Foundation's Flatiron Institute.

lumin • Rank 10.4 • Science 77%

LUMIN - a deep learning and data science ecosystem for high-energy physics.

qudi-hira-analysis • Rank 8.6 • Science 77%

Analytics suite for FPGA based qubit time-series photonics

diffractsim • Rank 8.4 • Science 77%

✨🔬 A flexible diffraction simulator for exploring and visualizing physical optics.

JetReconstruction • Rank 7.9 • Science 77%

Jet reconstruction (reclustering) with Julia

rsmine • Rank 7.5 • Science 77%

A Python package for efficient optimisation of real-space renormalization group transformations using Tensorflow.

Express • Rank 7.5 • Science 77%

Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community

QuantumESPRESSOBase • Rank 6.2 • Science 77%

Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.

sisl • Rank 15.8 • Science 67%

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

pyrot • Rank 5.0 • Science 77%

A python package for the physics of 1D Fabry-Pérot cavities interacting with atoms.

tdms • Rank 5.9 • Science 75%

Time Domain Maxwell Solver

clifford • Rank 16.8 • Science 64%

Geometric Algebra for Python

Measurements • Rank 16.7 • Science 64%

Error propagation calculator and library for physical measurements. It supports real and complex numbers with uncertainty, arbitrary precision calculations, operations with arrays, and numerical integration.

cvmfs-venv • Rank 2.8 • Science 77%

Example implementation of getting a Python virtual environment to work with CVMFS LCG views

mujoco • Rank 30.8 • Science 49%

Multi-Joint dynamics with Contact. A general purpose physics simulator.

pycharge • Rank 11.3 • Science 67%

Differentiable electromagnetics simulation library for moving point charges built on JAX

continuum-mechanics • Rank 10.1 • Science 67%

Utilities for doing calculations in continuum mechanics.

eko • Rank 17.9 • Science 59%

Evolution Kernel Operators

infomeasure • Rank 9.5 • Science 67%

Python package for calculating various information measures, including entropy, mutual information, transfer entropy, and more, with support for both discrete and continuous variables.

numbat • Rank 22.3 • Science 54%

A statically typed programming language for scientific computations with first class support for physical dimensions and units

pylj • Rank 11.8 • Science 64%

Teaching Utility for Classical Atomistic Simulation.

fluidx3d • Rank 8.4 • Science 67%

The fastest and most memory efficient lattice Boltzmann CFD software, running on all GPUs and CPUs via OpenCL. Free for non-commercial use.

diagrams • Rank 7.8 • Science 67%

Diagrams of concepts in physics/chemistry/ML

quantumtoolbox.jl • Rank 7.4 • Science 67%

Quantum Toolbox in Julia

https://github.com/ami-iit/jaxsim • Rank 14.5 • Science 59%

A differentiable physics engine and multibody dynamics library for control and robot learning.

libcommute • Rank 3.8 • Science 67%

A quantum operator algebra domain-specific language and exact diagonalization toolkit for C++11/14/17

lgn-autoencoder • Rank 2.4 • Science 67%

Lorentz group equivariant autoencoders based on Lorentz Group Network

https://github.com/moble/quaternion • Rank 22.8 • Science 46%

Add built-in support for quaternions to numpy

fplanck • Rank 8.6 • Science 59%

Numerically solve the Fokker-Planck equation in N dimensions

pyvaporation • Rank 10.0 • Science 57%

The solution for modelling pervaporation membrane performance based on experimental data

diffsims • Rank 7.5 • Science 59%

An open-source Python library providing utilities for simulating diffraction

nvidia-physicsnemo • Rank 20.2 • Science 46%

Open-source deep-learning framework for building, training, and fine-tuning deep learning models using state-of-the-art Physics-ML methods

thermo • Rank 19.4 • Science 46%

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

torchoptics • Rank 11.3 • Science 54%

Differentiable wave optics simulation library built on PyTorch

impactx • Rank 15.5 • Science 49%

high-performance modeling of beam dynamics in particle accelerators with collective effects

cosraymodifiediso • Rank 6.7 • Science 57%

A Python library for acquiring galactic cosmic ray spectra at Earth from the ISO model as modified by DLR. All the details and equations about this model can be found in Matthiae et al., A ready-to-use galactic cosmic ray model, Advances in Space Research 51.3 (2013): 329-338, https://doi.org/10.1016/j.asr.2012.09.022 .

matbench • Rank 14.5 • Science 49%

Matbench: Benchmarks for materials science property prediction

PolaronMobility.jl — Peer-reviewed • Rank 4.3 • Science 59%

PolaronMobility.jl: Implementation of the Feynman variational polaron model - Published in JOSS (2018)

org.mentat/emmy • Rank 18.0 • Science 44%

The Emmy Computer Algebra System.

pycommute • Rank 4.5 • Science 57%

Python bindings for libcommute

pychastic • Rank 7.2 • Science 54%

Pychastic is a stochastic differential equations integrator written entirely in python.

https://github.com/root-project/root • Rank 14.6 • Science 46%

The official repository for ROOT: analyzing, storing and visualizing big data, scientifically

pyet-mc • Rank 6.2 • Science 54%

Collection of routines for modelling the energy transfer processes in lanthanide doped materials.

paros • Rank 2.7 • Science 57%

PAROS is a method to calculate the magnification of fundus photographs.

https://github.com/akio-tomiya/latticeqcd.jl • Rank 9.3 • Science 49%

A native Julia code for lattice QCD with dynamical fermions in 4 dimension.

pygpe • Rank 4.2 • Science 54%

Library for numerically solving the Gross-Pitaevskii equations for scalar, two-component, spin-1, and spin-2 Bose-Einstein condensate systems.

rho-diffusion • Rank 3.9 • Science 54%

Parameterizing n-dimensional density fields using denoising diffusion probabilistic models

gopem • Rank 8.9 • Science 49%

GUI for OPEM library

galpy • Rank 17.5 • Science 36%

Galactic Dynamics in python

yadism • Rank 6.9 • Science 46%

Yet Another DIS Module

https://github.com/abinit/abipy • Rank 16.1 • Science 36%

Open-source library for analyzing the results produced by ABINIT

asympdirscalculator • Rank 6.2 • Science 44%

Python library containing tools for calculating asymptotic directions and vertical cut-off rigidities.

MuJoCo • Rank 8.9 • Science 41%

Julia bindings and visualiser for the MuJoCo physics engine.

pygrpy • Rank 5.7 • Science 44%

Python port of Generalized Rotne Prager Yamakawa hydrodynamic tensors.

znnl • Rank 5.2 • Science 44%

A Python package for studying neural learning

galgebra • Rank 8.1 • Science 41%

Symbolic Geometric Algebra/Calculus package for SymPy :crystal_ball:

@stdlib/math-base-special-riemann-zeta • Rank 4.3 • Science 44%

Riemann Zeta function.

@stdlib/math-iter-special-riemann-zeta • Rank 4.1 • Science 44%

Create an iterator which evaluates the Riemann zeta function for each iterated value.

soprano • Rank 11.2 • Science 36%

Soprano - a Python library to crack crystals!

lattpy • Rank 11.0 • Science 36%

Simple and efficient Python package for modeling d-dimensional Bravais lattices in solid state physics.

metropolisalgorithm.jl • Rank 1.4 • Science 44%