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The Top 264 Python Scientific Computing Open Source Projects on Github

Categories > Science > Scientific Computing
Scipy ⭐ 8,717
SciPy library main repository
Spack ⭐ 2,316
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Scikit Optimize ⭐ 2,215
Sequential model-based optimization with a `scipy.optimize` interface
Numcpp ⭐ 1,905
C++ implementation of the Python Numpy library
Pycuda ⭐ 1,219
CUDA integration for Python, plus shiny features
Eliot ⭐ 920
Eliot: the logging system that tells you *why* it happened
Itk ⭐ 907
Insight Toolkit (ITK) -- Official Repository. ITK builds on a proven, spatially-oriented architecture for processing, segmentation, and registration of scientific images in two, three, or more dimensions.
Pyopencl ⭐ 850
OpenCL integration for Python, plus shiny features
Casadi ⭐ 831
CasADi is a symbolic framework for numeric optimization implementing automatic differentiation in forward and reverse modes on sparse matrix-valued computational graphs. It supports self-contained C-code generation and interfaces state-of-the-art codes such as SUNDIALS, IPOPT etc. It can be used from C++, Python or Matlab/Octave.
Ruptures ⭐ 823
ruptures: change point detection in Python
Deepxde ⭐ 691
Deep learning library for solving differential equations and more
Awesome Scientific Computing ⭐ 630
😎 Curated list of awesome software for numerical analysis and scientific computing
Poliastro ⭐ 538
poliastro - 🚀 Astrodynamics in Python
Pygam ⭐ 493
[HELP REQUESTED] Generalized Additive Models in Python
Scikit Video ⭐ 485
Video Processing in Python
Boxx ⭐ 435
Tool-box for efficient build and debug in Python. Especially for Scientific Computing and Computer Vision.
Kneed ⭐ 420
Knee point detection in Python 📈
Loopy ⭐ 415
A code generator for array-based code on CPUs and GPUs
Pyemd ⭐ 388
Fast EMD for Python: a wrapper for Pele and Werman's C++ implementation of the Earth Mover's Distance metric
Itkwidgets ⭐ 378
Interactive Jupyter widgets to visualize images, point sets, and meshes in 2D and 3D
Bmc ⭐ 337
Notes on Scientific Computing for Biomechanics and Motor Control
Datacube Core ⭐ 337
Open Data Cube analyses continental scale Earth Observation data through time
Meshpy ⭐ 319
2D/3D simplicial mesh generator interface for Python (Triangle, TetGen, gmsh)
Simpeg ⭐ 312
Simulation and Parameter Estimation in Geophysics - A python package for simulation and gradient based parameter estimation in the context of geophysical applications.
Datoviz ⭐ 308
⚡ High-performance GPU interactive scientific data visualization with Vulkan
Yt ⭐ 305
Main yt repository
Openpnm ⭐ 254
A Python package for performing pore network modeling of porous media
Pysph ⭐ 253
A framework for Smoothed Particle Hydrodynamics in Python
Reprozip ⭐ 246
ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.
Impyute ⭐ 235
Data imputations library to preprocess datasets with missing data
Scikit Garden ⭐ 234
A garden for scikit-learn compatible trees
Oq Engine ⭐ 226
OpenQuake's Engine for Seismic Hazard and Risk Analysis
Findiff ⭐ 206
Python package for numerical derivatives and partial differential equations in any number of dimensions.
Visit ⭐ 182
VisIt - Visualization and Data Analysis for Mesh-based Scientific Data
Neurodiffeq ⭐ 171
A light-weight & flexible library for solving differential equations using neural networks based on PyTorch. Spatiotemporal ODEs and PDEs are both supported.
Plip ⭐ 156
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
Galpy ⭐ 148
Galactic Dynamics in python
Bmspy ⭐ 146
Python Block-Model Simulator. An alternative to simulink in python.
Freud ⭐ 146
Powerful, efficient particle trajectory analysis in scientific Python.
Espresso ⭐ 140
The ESPResSo package
Harold ⭐ 127
An open-source systems and controls toolbox for Python3
Regionmask ⭐ 121
plotting and creation of masks of spatial regions
Gdl ⭐ 121
GDL - GNU Data Language
Solidspy ⭐ 118
2D-Finite Element Analysis with Python
Awesome Scientific Python ⭐ 117
A curated list of awesome scientific Python resources
Py Pde ⭐ 115
Python package for solving partial differential equations using finite differences.
Siconos ⭐ 113
Simulation framework for nonsmooth dynamical systems
Partia Computing Michaelmas ⭐ 112
Activities and exercises for the Part IA computing course in Michaelmas Term
Datajoint Python ⭐ 112
Relational data pipelines for the science lab
Discretize ⭐ 110
Discretization tools for finite volume and inverse problems.
Regionmask ⭐ 103
plotting and creation of masks of spatial regions
Conduit ⭐ 99
Simplified Data Exchange for HPC Simulations
Cytoflow ⭐ 98
A Python toolbox for quantitative, reproducible flow cytometry analysis
Bssw.io ⭐ 94
Better Scientific Software Homepage
Scirun ⭐ 92
SCIRun is a Problem Solving Environment, for modeling, simulation and visualization of scientific problems. This is version 5, the upgraded version of SCIRun v4.
Aicsimageio ⭐ 91
Image Reading, Metadata Conversion, and Image Writing for Microscopy Images in Python
Pylbm ⭐ 89
Numerical simulations using flexible Lattice Boltzmann solvers
Gis4wrf ⭐ 88
QGIS toolkit 🧰 for pre- and post-processing 🔨, visualizing 🔍, and running simulations 💻 in the Weather Research and Forecasting (WRF) model 🌀
P4pdes ⭐ 88
C and Python examples from my book on using PETSc to solve PDEs
Autowig ⭐ 79
Automatic Wrapper and Interface Generator
Bandup ⭐ 68
BandUP: Band Unfolding code for Plane-wave based calculations
Pymfem ⭐ 68
Python wrapper for MFEM
Pism ⭐ 67
Repository for the Parallel Ice Sheet Model (PISM)
Garlicsim ⭐ 67
Pythonic framework for working with simulations.
Nsd ⭐ 65
Numerical Software Development
Vim Cellmode ⭐ 64
Vim MATLAB-like cell execution for tmux/ipython
Spirit ⭐ 64
Atomistic Spin Simulation Framework
Vtkbool ⭐ 63
A new boolean operations filter for VTK
Mmtf Pyspark ⭐ 58
Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.
Source ⭐ 54
The main source repository for the Raysect project.
Combi ⭐ 52
Pythonic package for combinatorics
Xitorch ⭐ 51
Differentiable scientific computing library
Kwant ⭐ 51
Mirror of the Kwant project https://gitlab.kwant-project.org/kwant/kwant
Itksphinxexamples ⭐ 45
Cookbook examples for the Insight Toolkit documented with Sphinx
Boxtree ⭐ 45
Quad/octree building for FMMs in Python and OpenCL
Nutils ⭐ 45
The nutils project
Scicompforchemists ⭐ 44
Scientific Computing for Chemists text for teaching basic computing skills to chemistry students using Python, Jupyter notebooks, and the SciPy stack. This text makes use of a variety of packages including NumPy, SciPy, matplotlib, pandas, seaborn, NMRglue, SymPy, scikit-image, and scikit-learn.
Lectures ⭐ 43
Lectures for the course "Scientific Programming in Python" at Osnabrück University
Py_resources ⭐ 43
Collection of Python learning resources
Pybobyqa ⭐ 39
Python-based Derivative-Free Optimization with Bound Constraints
Python In Neuroscience Tutorials ⭐ 38
Collection of tutorials about methods of computational neuroscience using Python
Oommfc ⭐ 38
OOMMF calculator.
Payton ⭐ 36
Payton! Kickstart any 3D Ideas in a few seconds!
Pytim ⭐ 36
a python package for the interfacial analysis of molecular simulations
Nagpythonexamples ⭐ 33
Examples and demos showing how to call functions from the NAG Library for Python
Pandas To Postgres ⭐ 33
Copy Pandas DataFrames and HDF5 files to PostgreSQL database
Gcpy ⭐ 32
Python toolkit for GEOS-Chem.
Diffgeoops ⭐ 32
This repository contains a Python implementation of the paper "Discrete Differential-Geometry Operators for Triangulated 2-Manifolds" by Meyer et. al. VisMath 2002
Pyret ⭐ 31
Python tools for analysis of neurophysiology data
Python Notebooks ⭐ 29
Scientific Computing with Python for beginners.
Mdct ⭐ 29
A fast MDCT implementation using SciPy and FFTs
Core ⭐ 29
The core source repository for the Cherab project.
Prmon ⭐ 29
Standalone monitor for process resource consumption
Satmad ⭐ 29
Satellite Mission Analysis and Design
Pylada Light ⭐ 27
A physics computational framework for python and ipython
Pycannyedge ⭐ 27
Educational Python implementation of the Canny Edge Detector
Gwf ⭐ 26
A flexible, pragmatic workflow tool.
Spinmob ⭐ 26
Rapid and flexible acquisition, analysis, fitting, and plotting in Python. Designed for scientific laboratories.
Dfols ⭐ 22
Python-based Derivative-Free Optimizer for Least-Squares
Www.guanjihuan.com ⭐ 22
1-100 of 264 projects

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