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236 search results found

Scipy ⭐ 12,126

SciPy library main repository

Spack ⭐ 3,799

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

Numcpp ⭐ 3,212

C++ implementation of the Python Numpy library

Scikit Optimize ⭐ 2,700

Sequential model-based optimization with a `scipy.optimize` interface

Pycuda ⭐ 1,692

CUDA integration for Python, plus shiny features

Ruptures ⭐ 1,408

ruptures: change point detection in Python

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.

Awesome Scientific Computing ⭐ 1,125

😎 Curated list of awesome software for numerical analysis and scientific computing

Eliot ⭐ 1,074

Eliot: the logging system that tells you *why* it happened

Pyopencl ⭐ 1,021

OpenCL integration for Python, plus shiny features

Poliastro ⭐ 795

poliastro - 🚀 Astrodynamics in Python

[HELP REQUESTED] Generalized Additive Models in Python

Scikit Video ⭐ 630

Video Processing in Python

Knee point detection in Python 📈

Neurodiffeq ⭐ 576

A library for solving differential equations using neural networks based on PyTorch, used by multiple research groups around the world, including at Harvard IACS.

Itkwidgets ⭐ 571

An elegant Python interface for visualization on the web platform to interactively generate insights into multidimensional images, point sets, and geometry.

A code generator for array-based code on CPUs and GPUs

Pdebench ⭐ 522

PDEBench: An Extensive Benchmark for Scientific Machine Learning

Datacube Core ⭐ 470

Open Data Cube analyses continental scale Earth Observation data through time

Tool-box for efficient build and debug in Python. Especially for Scientific Computing and Computer Vision.

Datoviz ⭐ 453

⚡ High-performance GPU interactive scientific data visualization with Vulkan

FiPy is a Finite Volume PDE solver written in Python

Simulation and Parameter Estimation in Geophysics - A python package for simulation and gradient based parameter estimation in the context of geophysical applications.

Fast EMD for Python: a wrapper for Pele and Werman's C++ implementation of the Earth Mover's Distance metric

2D/3D simplicial mesh generator interface for Python (Triangle, TetGen, gmsh)

Main yt repository

Openpnm ⭐ 412

A Python package for performing pore network modeling of porous media

Notes on Scientific Computing for Biomechanics and Motor Control

A framework for Smoothed Particle Hydrodynamics in Python

Findiff ⭐ 361

Python package for numerical derivatives and partial differential equations in any number of dimensions.

VisIt - Visualization and Data Analysis for Mesh-based Scientific Data

Python package for solving partial differential equations using finite differences.

Oq Engine ⭐ 345

OpenQuake's Engine for Seismic Hazard and Risk Analysis

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

Impyute ⭐ 293

Data imputations library to preprocess datasets with missing data

Reprozip ⭐ 286

ReproZip is a tool that simplifies the process of creating reproducible experiments from command-line executions, a frequently-used common denominator in computational science.

Python to the people

GDL - GNU Data Language

Powerful, efficient particle trajectory analysis in scientific Python.

Scikit Garden ⭐ 242

A garden for scikit-learn compatible trees

Regionmask ⭐ 237

create masks of geospatial regions for arbitrary grids

Solidspy ⭐ 222

2D-Finite Element Analysis with Python

Espresso ⭐ 206

The ESPResSo package

Galactic Dynamics in python

Iheartla ⭐ 192

compilable markdown for linear algebra

Aicsimageio ⭐ 177

Image Reading, Metadata Conversion, and Image Writing for Microscopy Images in Python

Conduit ⭐ 176

Simplified Data Exchange for HPC Simulations

C and Python examples from my book on using PETSc and Firedrake to solve PDEs

Python wrapper for MFEM

An open-source systems and controls toolbox for Python3

Datajoint Python ⭐ 158

Relational data pipelines for the science lab

Siconos ⭐ 153

Simulation framework for nonsmooth dynamical systems

Awesome Scientific Python ⭐ 152

A curated list of awesome scientific Python resources

Discretize ⭐ 150

Discretization tools for finite volume and inverse problems.

Scicompforchemists ⭐ 149

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.

Py_resources ⭐ 147

Collection of Python learning resources

Python Block-Model Simulator. An alternative to simulink in python.

Cytoflow ⭐ 144

A Python toolbox for quantitative, reproducible flow cytometry analysis

Partia Computing Michaelmas ⭐ 138

Activities and exercises for the Part IA computing course in Michaelmas Term

Vtkbool ⭐ 138

A new boolean operations filter for VTK

Gis4wrf ⭐ 132

QGIS toolkit 🧰 for pre- and post-processing 🔨, visualizing 🔍, and running simulations 💻 in the Weather Research and Forecasting (WRF) model 🌀

Bssw.io ⭐ 130

Better Scientific Software Homepage

Numerical simulations using flexible Lattice Boltzmann solvers

SCIRun is a Problem Solving Environment, for modeling, simulation and visualization of scientific problems. This is version 5, the upgraded version of SCIRun v4.

Xitorch ⭐ 108

Differentiable scientific computing library

Atomistic Spin Simulation Framework

Repository for the Parallel Ice Sheet Model (PISM)

The nutils project

Ddgspring2016 ⭐ 80

Code repository for 15-869 Discrete Differential Geometry at CMU in Spring 2016.

Automatic Wrapper and Interface Generator

Buildingspy ⭐ 75

Python modules for automating Modelica simulations and for running unit test for the Buildings library

The main source repository for the Raysect project.

Stat Mech Van ⭐ 69

Code for 'Solving Statistical Mechanics using Variational Autoregressive Networks'.

a python package for the interfacial analysis of molecular simulations

BandUP: Band Unfolding code for Plane-wave based calculations

Open-source, graph-based Python code generator and analysis toolbox for dynamical systems (pre-implemented and custom models). Most pre-implemented models belong to the family of neural population models.

Garlicsim ⭐ 67

Pythonic framework for working with simulations.

Quantify uncertainty and sensitivities in your computer models with an industry-grade Monte Carlo library.

Numerical Software Development

Mirror of the Kwant project https://gitlab.kwant-project.org/kwant/kwant

Vim Cellmode ⭐ 64

Vim MATLAB-like cell execution for tmux/ipython

Mmtf Pyspark ⭐ 64

Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.

Pybobyqa ⭐ 64

Python-based Derivative-Free Optimization with Bound Constraints

Python Data Science Project ⭐ 62

Template repository for a Python 3-based (data) science project

Quad/octree building for FMMs in Python and OpenCL

Tomosipo ⭐ 54

A library for painless 3D tomographic reconstruction

Introduction To Python ⭐ 53

"Introduction to Python" course for Imperial College London ESE future MSc students

Astrophot ⭐ 53

A fast, flexible, automated, and differentiable astronomical image 2D forward modelling tool for precise parallel multi-wavelength photometry

Convolutionalneuraloperator ⭐ 52

This repository is the official implementation of the paper Convolutional Neural Operators for robust and accurate learning of PDEs

Nagpythonexamples ⭐ 52

Examples and demos showing how to call functions from the NAG Library for Python

Tensor decomposition with arbitrary expressions: inner, outer, elementwise operators; nonlinear transformations; and more.

Itksphinxexamples ⭐ 50

Cookbook examples for the Insight Toolkit documented with Sphinx

Python toolkit for GEOS-Chem. Contains basic plotting scripts, plus the suite of GEOS-Chem benchmarking utilities.

Diffgeoops ⭐ 47

Python implementation of the paper "Discrete Differential-Geometry Operators for Triangulated 2-Manifolds" by Meyer et. al. VisMath 2002

Grad-DFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.

Fb Message Parser ⭐ 45

Parse your Facebook messages!

Payton! Kickstart any 3D OpenGL + GTK Ideas in a few seconds!

OOMMF calculator.

Lectures ⭐ 43

Lectures for the course "Scientific Programming in Python" at Osnabrück University

Python Matematica ⭐ 41

Explorando aspectos fundamentais da matemática com Python e Jupyter

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