Python Scientific Computing

Open-source Python projects categorized as Scientific Computing

Top 23 Python Scientific Computing Projects

Scientific Computing
  • SciPy

    SciPy library main repository

  • Project mention: What Is a Schur Decomposition? | news.ycombinator.com | 2024-03-04

    I guess it is a rite of passage to rewrite it. I'm doing it for SciPy too together with Propack in [1]. Somebody already mentioned your repo. Thank you for your efforts.

    [1]: https://github.com/scipy/scipy/issues/18566

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  • spack

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

  • Project mention: Autodafe: "freeing your freeing your project from the clammy grip of autotools." | news.ycombinator.com | 2024-04-06

    > Are we talking about the same autotools?

    Yes. Instead of figuring out how to do something particular with every single software package, I can do a --with-foo or --without-bar or --prefix=/opt/baz-1.2.3, and be fairly confident that it will work the way I want.

    Certainly with package managers or (FreeBSD) Ports a lot is taken care of behind the scenes, but the above would also help the package/port maintainers as well. Lately I've been using Spack for special-needs compiles, but maintainer ease also helps there, but there are still cases one a 'fully manual' compile is still done.

    > Suffice it to say, I prefer to work with handwritten makefiles.

    Having everyone 'roll their own' system would probably be worse, because any "mysteriously failure" then has to be debugged specially for each project.

    Have you tried Spack?

    * https://spack.io

    * https://spack.readthedocs.io/en/latest/

  • PyCUDA

    CUDA integration for Python, plus shiny features

  • ruptures

    ruptures: change point detection in Python

  • Eliot

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

  • pyopencl

    OpenCL integration for Python, plus shiny features

  • pyGAM

    [HELP REQUESTED] Generalized Additive Models in Python

  • InfluxDB

    Power Real-Time Data Analytics at Scale. Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.

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  • PDEBench

    PDEBench: An Extensive Benchmark for Scientific Machine Learning

  • Project mention: [P] LagrangeBench: A Lagrangian Fluid Mechanics Benchmarking Suite | /r/MachineLearning | 2023-12-11

    LagrangeBench is a machine learning benchmarking library for CFD particle problems based on JAX. It is designed to evaluate and develop learned particle models (e.g. graph neural networks) on challenging physical problems. To our knowledge it's the first benchmark for this specific set of problems. Our work was inspired by the grid-based benchmarks of PDEBench and PDEArena, and we propose it as a Lagrangian alternative.

  • pysph

    A framework for Smoothed Particle Hydrodynamics in Python

  • awesome-scientific-python

    A curated list of awesome scientific Python resources

  • iheartla

    compilable markdown for linear algebra

  • aicsimageio

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

  • harold

    An open-source systems and controls toolbox for Python3

  • cytoflow

    A Python toolbox for quantitative, reproducible flow cytometry analysis

  • nbody-python

    Vectorized N-body code (Python)

  • Project mention: How to convert this Numpy code to Pytorch? | /r/pytorch | 2023-06-25

    I'm trying to use this code (from here) but in Pytorch (it's an N-body simulation):

  • monaco

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

  • pybobyqa

    Python-based Derivative-Free Optimization with Bound Constraints

  • ennemi

    Easy Nearest Neighbor Estimation of Mutual Information

  • mcmc-python

    Create Your Own Metropolis-Hastings Markov Chain Monte Carlo Algorithm for Bayesian Inference (With Python)

  • qha

    A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations

  • activematter-python

    Active Matter simulation

  • constrainedtransport-python

    Finite Volume Constrained Transport MHD simulation of the Orszag-Tang vortex

  • cij

    Semiemperical quasiharmonic thermal elasticity

  • SaaSHub

    SaaSHub - Software Alternatives and Reviews. SaaSHub helps you find the best software and product alternatives

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NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).

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Python Scientific Computing related posts

  • Look for: A low-cost project for 2nd-year college student

    1 project | /r/AerospaceEngineering | 10 Oct 2022
  • [Dev-Showcase] Airfoil Optimisation using Physics Informed Neural Networks(PINNs)

    2 projects | /r/CFD | 24 May 2022
  • Open source / part time research in the world of HPC?

    3 projects | /r/HPC | 15 May 2022
  • harold open source controls package for Python - v1.0.2 announcement

    1 project | /r/ControlTheory | 26 Apr 2022
  • Control theory related open source project

    3 projects | /r/ControlTheory | 14 Mar 2022
  • Brand New HPC Sysadmin at a Major University, Where to Start?

    6 projects | /r/HPC | 28 Oct 2021
  • [D] Inverse of Event Detection - Temporal Disruption Analysis

    1 project | /r/MachineLearning | 25 Jul 2021
  • A note from our sponsor - InfluxDB
    www.influxdata.com | 21 Jun 2024
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Index

What are some of the best open-source Scientific Computing projects in Python? This list will help you:

Project Stars
1 SciPy 12,634
2 spack 4,069
3 PyCUDA 1,771
4 ruptures 1,520
5 Eliot 1,090
6 pyopencl 1,036
7 pyGAM 848
8 PDEBench 658
9 pysph 434
10 awesome-scientific-python 232
11 iheartla 197
12 aicsimageio 196
13 harold 172
14 cytoflow 162
15 nbody-python 101
16 monaco 90
17 pybobyqa 73
18 ennemi 35
19 mcmc-python 32
20 qha 28
21 activematter-python 20
22 constrainedtransport-python 16
23 cij 14

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