Uncategorized Scientific ML Tools

There are 123 uncategorized libraries tracked. 20 score above 70 (verified tier). The highest-rated is jobovy/galpy at 81/100 with 268 stars and 5,989 monthly downloads. 8 of the top 10 are actively maintained.

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# Library Score Tier
1 jobovy/galpy

Galactic Dynamics in python

81
Verified
2 AMReX-Codes/amrex

AMReX: Software Framework for Block Structured AMR

76
Verified
3 stdlib-js/stdlib

✨ The fundamental numerical library for JavaScript and TypeScript. ✨

76
Verified
4 pymovements/pymovements

A python package for processing eye movement data

76
Verified
5 chapel-lang/chapel

a Productive Parallel Programming Language

76
Verified
6 dealii/dealii

The development repository for the deal.II finite element library

76
Verified
7 InsightSoftwareConsortium/ITK

Insight Toolkit (ITK) -- Official Repository. ITK builds on a proven,...

76
Verified
8 scipy/scipy

SciPy library main repository

76
Verified
9 opendatacube/datacube-core

Open Data Cube analyses continental scale Earth Observation data through time

76
Verified
10 trilinos/Trilinos

Primary repository for the Trilinos Project

76
Verified
11 BOINC/boinc

Open-source software for volunteer computing and grid computing.

76
Verified
12 spack/spack

A flexible package manager that supports multiple versions, configurations,...

76
Verified
13 OpenChemistry/avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data...

76
Verified
14 mfem/mfem

Lightweight, general, scalable C++ library for finite element methods

74
Verified
15 opensim-org/opensim-core

SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.

74
Verified
16 visit-dav/visit

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

74
Verified
17 optiland/optiland

Comprehensive optical design, optimization, and analysis in Python,...

74
Verified
18 regionmask/regionmask

create masks of geospatial regions for arbitrary grids

73
Verified
19 llnl/sundials

Official development repository for SUNDIALS - a SUite of Nonlinear and...

71
Verified
20 adtzlr/felupe

finite element analysis for continuum mechanics of solid bodies

70
Verified
21 goplus/xgo

XGo is a programming language that reads like plain English. But it's also...

69
Established
22 shadow/shadow

Shadow is a discrete-event network simulator that directly executes real...

69
Established
23 K-Dense-AI/scientific-agent-skills

A set of ready to use Agent Skills for research, science, engineering,...

69
Established
24 biotite-dev/biotite

A comprehensive library for computational molecular biology

68
Established
25 simpeg/simpeg

Simulation and Parameter Estimation in Geophysics - A python package for...

67
Established
26 usnistgov/fipy

FiPy is a Finite Volume PDE solver written in Python

67
Established
27 andykee/lentil

Heart-healthy physical optics

65
Established
28 openhpc/ohpc

OpenHPC Integration, Packaging, and Test Repo

64
Established
29 geoschem/geos-chem

GEOS-Chem "Science Codebase" repository. Contains GEOS-Chem science...

64
Established
30 inducer/pyopencl

OpenCL integration for Python, plus shiny features

64
Established
31 scikit-bio/scikit-bio

scikit-bio: a community-driven Python library for bioinformatics, providing...

64
Established
32 espressomd/espresso

The ESPResSo package

64
Established
33 MFlowCode/MFC

Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T...

64
Established
34 gem/oq-engine

OpenQuake Engine: a software for Seismic Hazard and Risk Analysis

64
Established
35 mumax/3

GPU-accelerated micromagnetic simulator

64
Established
36 spack/spack-packages

Spack's community package recipes

64
Established
37 yt-project/yt

Main yt repository

64
Established
38 meteoinfo/MeteoInfo

MeteoInfo: GIS, scientific computation and visualization environment.

63
Established
39 inducer/meshpy

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

63
Established
40 ucscGenomeBrowser/kent

UCSC Genome Browser source. "beta" is released version / "master" is testing.

63
Established
41 betterscientificsoftware/bssw.io

Better Scientific Software Homepage

63
Established
42 pacs-course/pacs-examples

The examples for the course on advanced programming for scientific computing...

62
Established
43 Alpine-DAV/ascent

A flyweight in situ visualization and analysis runtime for multi-physics HPC...

62
Established
44 gnudatalanguage/gdl

GDL - GNU Data Language

62
Established
45 SCIInstitute/SCIRun

SCIRun is a Problem Solving Environment, for modeling, simulation and...

62
Established
46 JuDFTteam/best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

62
Established
47 feelpp/feelpp

:gem: Feel++: Finite Element Embedded Language and Library in C++

62
Established
48 llnl/SAMRAI

Structured Adaptive Mesh Refinement Application Infrastructure - a scalable...

62
Established
49 openmole/openmole

Workflow engine for exploration of simulation models using high throughput computing

61
Established
50 pism/pism

Parallel Ice Sheet Model (PISM)

61
Established
51 mccode-dev/McCode

The home of the McStas (neutrons) and McXtrace (x-rays) Monte-Carlo...

60
Established
52 molmod/stacie

Stable AutoCorrelation Integral Estimator

60
Established
53 PDLPorters/pdl

Scientific computing with Perl

60
Established
54 gonum/gonum

Gonum is a set of numeric libraries for the Go programming language. It...

60
Established
55 glotzerlab/freud

Powerful, efficient particle trajectory analysis in scientific Python.

59
Established
56 amberbiology/scribl

Semantic Capture of Relationships In Biological Literature (scribl)

58
Established
57 deepcharles/ruptures

ruptures: change point detection in Python

58
Established
58 gdtk-uq/gdtk

The Gas Dynamics Toolkit (GDTk) is a set of software tools for simulating...

58
Established
59 martinjrobins/diffsol

ODE solver library in Rust

58
Established
60 vlang/vsl

V library to develop Artificial Intelligence and High-Performance Scientific...

57
Established
61 SciCompMod/memilio

Modular spatio-temporal models for epidemic and pandemic simulations

57
Established
62 nelson-lang/nelson

The Nelson Programming Language

57
Established
63 scientific-python/scientific-python.org

Source for the Scientific Python Project homepage.

57
Established
64 gjbex/Scientific-C-plus-plus

Repository for participants of the "Scientific C++" training

56
Established
65 goplus/ixgo

The Go/XGo Interpreter

55
Established
66 wwang721/pyafv

🧬 Python code that implements the active finite Voronoi (AFV) model.

54
Established
67 InSARdev/core

Interferometric Synthetic Aperture Radar (InSAR) processing ecosystem for Python

54
Established
68 sun-data/named-arrays

Python library that implements named tensors with Astropy Quantity support.

53
Established
69 ISSMteam/PINNICLE

A general PINN framework for solving ice sheet modeling

53
Established
70 OstapHEP/ostap

User friendly and more intuitive interface to ROOT and PyROOT

53
Established
71 DataLab-Platform/DataLab

Open-source Platform for Scientific and Technical Data Processing and Visualization

53
Established
72 tsotchke/eshkol

High-Performance LISP-like language for Scientific Computing and AI written in C++

53
Established
73 abougouffa/minemacs

MinEmacs: an Emacs configuration framework for daily use

53
Established
74 mia-jinns/jinns

Physics Informed Neural Networks (PINNs) + SPINNs + HyperPINNs + Adaptative...

53
Established
75 earth-system-radiation/pyRTE-RRTMGP

Python interface to the RTE+RRTMGP Fortran software package

52
Established
76 sinanislekdemir/payton

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

52
Established
77 sjdv1982/seamless

Wrap Python functions and shell commands as content-addressed...

51
Established
78 cpmech/russell

Rust Scientific Libary. ODE and DAE (Runge-Kutta) solvers. Special functions...

51
Established
79 Autostronomy/AstroPhot

A fast, flexible, full featured, and differentiable astronomical image 2D...

50
Established
80 sarisabban/Pose

A bare metal Python library for building and manipulating protein molecular...

50
Established
81 PyAutoLabs/PyAutoArray

Array and grid manipulation for the PyAuto ecosystem

50
Established
82 haddocking/haddock-restraints

Generate restraints to be used in HADDOCK

50
Established
83 RESTGroup/rstsr

An n-dimensional rust tensor library

50
Established
84 pathsim/pathview

A Python first graphical user interface for PathSim.

49
Emerging
85 NathalyDM/nath.biohack

A community-focused repository dedicated to fostering learning and...

49
Emerging
86 inducer/numerics-notes

Slides/notes and Jupyter notebook demos for an introductory course of...

48
Emerging
87 chaobrain/pinnx

Physics-Informed Neural Networks for Scientific Machine Learning in JAX

48
Emerging
88 c-hydro/hmc-dev

Hydrological Model Continuum (HMC) – Open-source distributed hydrological...

47
Emerging
89 alconley/spectrix

Interactive 1D/2D histogram fitter and data visualization tool for nuclear...

47
Emerging
90 runmat-org/runmat

Open-source runtime for math. Write MATLAB syntax, run on CPU + GPU...

47
Emerging
91 dadesso17/RJ-PINNs

RJ-PINNs, introduced by Dadoyi Dadesso, is a novel framework that...

45
Emerging
92 equipez/setup_mex

This package provides scripts that attempt to facilitate setting up the MATLAB MEX.

45
Emerging
93 ntumitolab/mmsb-bebi-5009

Mathematical Modeling for Systems Biology

45
Emerging
94 stdlib-js/www-status

Uptime and status monitor for the stdlib website.

45
Emerging
95 scigolib/hdf5

Modern Pure Go implementation of the HDF5 file format

45
Emerging
96 pasteurlabs/tesseract-core

Universal, autodiff-native software components for Simulation Intelligence. 📦

45
Emerging
97 smec-ethz/bamboost

A Python library built for data-management using the HDF5 file format.

44
Emerging
98 gauravfs-14/awesome-pinns

A carefully curated collection of high-quality libraries, projects,...

44
Emerging
99 JaneliaSciComp/hortacloud

HortaCloud - 3D annotation platform for large microscopy data

41
Emerging
100 Dicklesworthstone/franken_numpy

Memory-safe clean-room Rust reimplementation of NumPy with strict/hardened...

40
Emerging
101 Axect/magi-researchers

Three AI models, one synthesis — Claude, Gemini & Codex cross-verify each...

40
Emerging
102 Dicklesworthstone/frankenscipy

Clean-room Rust reimplementation of SciPy with Condition-Aware Solver...

40
Emerging
103 dollspace-gay/ferray

A NumPy-equivalent scientific computing library for Rust. Correctly-rounded...

39
Emerging
104 not-that-guy-again/bioAF

A self-hosted platform for orchestrating bioinformatics pipelines, managing...

39
Emerging
105 rizukirr/numc

A fast, lightweight NumPy-like N-dimensional tensor library in C, built for...

37
Emerging
106 JuliaGeometry/MeshIntegrals.jl

Numerical integration over Meshes.jl geometry domains

36
Emerging
107 GSEA-MSigDB/GSEA.jl

Julia implementation of the next generation GSEA 🏔️

36
Emerging
108 climet-eu/lab

Online Laboratory for Climate Science and Meteorology

34
Emerging
109 bloody2634/claud-skills

🚀 Build and utilize production-ready Claude Code agents and skills for...

33
Emerging
110 MundyRepo/MuNDy

Runtime-extensible multibody dynamics on N-GPUs.

33
Emerging
111 docxology/MetaInformAnt

Integration for Ants and Beyond

33
Emerging
112 Geoenergia-Lab/cudaLBM

A high-performance computing project that implements the moment...

33
Emerging
113 Siderust/qtty

A lightweight, standalone Rust crate that powers Siderust's dimensional...

33
Emerging
114 scigolib/matlab

Pure Go library for reading and writing MATLAB .mat files (v5-v7.3+). No...

33
Emerging
115 bbeckley-hub/EcoliTyper

EcoliTyper: A species-optimized computational pipeline for comprehensive...

33
Emerging
116 ma-compbio-lab/SkillFoundry

A framework for discovering, compiling, and validating reusable skills for...

33
Emerging
117 gift-framework/GIFT

Geometric Information Field Theory. 33 SM predictions from pure topology....

31
Emerging
118 Krasnovvvvv/numerical-methods-in-physics

High-performance, educational C++ project with modular and extensible...

31
Emerging
119 openwave-labs/openwave

OpenWave is an open-source subatomic wave simulator for exploring...

31
Emerging
120 NachoPeinador/PIA-KRASv2-Nb

Official repository for the OUP published paper: "Computational Design of a...

31
Emerging
121 Zhi-Chao-PAN/safety-critical-battery-prognostics

A reproducible battery prognostics repository with a three-layer physics...

27
Experimental
122 pablo-reyes8/alphafold2-from-scratch

A from-scratch AlphaFold2 in PyTorch designed to make one of the most...

26
Experimental
123 grantdh/apple-bottom

BLASphemy: Metal-native linear algebra for Apple Silicon...because cuBLAS...

25
Experimental