101.BrunoLevy / geogram
a programming library with geometric algorithms
- graphics-libraries
- graphics-programming
- mesh-generation
- mesh-processing
- geometry-processing
+3 stars
from 2,570 · score 1.39
Trending repositories
Ranked by Attention Score: stars gained over the last 7 complete days
101–200 of 274 by Attention Score · Oct 29, 2026 – Nov 4, 2026 (UTC)
102.chemprop / chemprop
Message Passing Neural Networks for Molecule Property Prediction
- machine-learning
- chemistry
- neural-networks
- drug-discovery
+3 stars
from 2,513 · score 1.39
103.markrogoyski / math-php
Powerful modern math library for PHP: Features descriptive statistics and regressions; Continuous and discrete probability distributions; Linear algebra with matrices and vectors, Numerical analysis; special mathematical functions; Algebra
- math
- mathematics
- linear-algebra
- statistics
- matrix
- probability
- +11 more
+3 stars
from 2,413 · score 1.39
104.idaholab / moose
Multiphysics Object Oriented Simulation Environment: A robust, modern, extendable, finite element/finite volume framework that excels at creating complex multiphysics simulations.
- multiphysics
- simulation
- fem
- finite-elements
- object-oriented
- parallel
- +2 more
+3 stars
from 2,397 · score 1.39
105.casadi / casadi
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, Matlab/Octave, Julia or Javascript
- optimization
- nonlinear
- derivatives
- code-generation
- numerical-calculations
- academic-project
- +14 more
+3 stars
from 2,325 · score 1.39
106.qutip / qutip
QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
- quantum-computing
- quantum-mechanics
- +3 more
+3 stars
from 2,092 · score 1.39
107.Reference-LAPACK / lapack
LAPACK development repository
- linear-algebra
- lapack
- blas
- lapacke
- linear-equations
- eigenvalues
- +4 more
+3 stars
from 1,915 · score 1.39
+3 stars
from 1,768 · score 1.39
109.pvlib / pvlib-python
A set of documented functions for simulating the performance of photovoltaic energy systems.
- solar-energy
- python
- renewable-energy
- renewables
- photovoltaic
+3 stars
from 1,711 · score 1.39
110.owlbarn / owl
Owl - OCaml Scientific Computing @ https://ocaml.xyz
- matrix
- linear-algebra
- ndarray
- statistical-functions
- topic-modeling
- regression
- +14 more
+3 stars
from 1,355 · score 1.39
111.fo-dicom / fo-dicom
Fellow Oak DICOM for .NET, .NET Core, Universal Windows, Android, iOS, Mono and Unity
- dicom
- netcore
- medical
- medical-imaging
- dot-net
- c-sharp
- +4 more
+3 stars
from 1,217 · score 1.39
112.ClawBio / ClawBio
🦖 ClawBio - The first bioinformatics-native AI agent skill library. Local-first. Reproducible. Open. Free.
- ai-agents
- bioinformatics
- equity
- genomics
- local-first
- openclaw
- +2 more
+3 stars
from 1,170 · score 1.39
113.ddemidov / amgcl
C++ library for solving large sparse linear systems with algebraic multigrid method
- amg
- c-plus-plus
- sparse-linear-systems
- opencl
- cuda
- gpgpu
- +6 more
+3 stars
from 883 · score 1.39
114.invesalius / invesalius3
3D medical imaging reconstruction software
- dicom
- dicom-viewer
- magnetic-resonance-imaging
- medical-image-processing
- medical-imaging
- segmentation
- +2 more
+3 stars
from 812 · score 1.39
115.JCash / voronoi
A C implementation for creating 2D Voronoi/Delauney diagrams
+3 stars
from 735 · score 1.39
116.chainer / chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
- deep-learning
- chemistry
- neural-network
- biology
- chainer
- python
- +1 more
+3 stars
from 712 · score 1.39
117.TUDelft-CNS-ATM / bluesky
The open source air traffic simulator
- python
- traffic
- aircraft
- simulation
- air-traffic-control
- air-transport
- +11 more
+3 stars
from 574 · score 1.39
118.gao-lab / GLUE
Graph-linked unified embedding for single-cell multi-omics data integration
- bioinformatics
- deep-learning
- single-cell
- single-cell-multiomics
+3 stars
from 483 · score 1.39
119.OATML-Markslab / ProteinGym
Official repository for the ProteinGym benchmarks
- benchmark
- computational-biology
- protein
- protein-design
- protein-fitness
+3 stars
from 481 · score 1.39
120.auto-differentiation / xad
The fastest automatic differentiation library for C++, with Python bindings. Forward, adjoint and higher-order derivatives, checkpointing, Eigen support and JIT. Reproducible benchmarks against CppAD, Adept and autodiff.
- automatic-differentiation
- aad
- algorithmic-differentiation
- autodiff
- adjoint
- cpp
- +13 more
+3 stars
from 437 · score 1.39
121.epam / Indigo
Universal cheminformatics toolkit, utilities and database search tools
- indigo
- bingo
- cheminformatics
- chemistry
- python
- dotnet
- +9 more
+3 stars
from 411 · score 1.39
122.lemire / fastmod
A C/C++ header file for fast 32-bit division remainders (and divisibility tests) on 64-bit hardware.
- performance
+3 stars
from 352 · score 1.39
123.aidenybai / million
Optimizing compiler for React
- hacktoberfest
- million
- millionjs
- virtual-dom
- react
- blockdom
- +11 more
+2 stars
from 17,661 · score 1.10
124.facebookresearch / pytorch3d
PyTorch3D is FAIR's library of reusable components for deep learning with 3D data
+2 stars
from 9,991 · score 1.10
125.bayesian-optimization / BayesianOptimization
A Python implementation of global optimization with gaussian processes.
- optimization
- gaussian-processes
- bayesian-optimization
- python
- simple
+2 stars
from 8,727 · score 1.10
+2 stars
from 8,563 · score 1.10
127.gonum / gonum
Gonum is a set of numeric libraries for the Go programming language. It contains libraries for matrices, statistics, optimization, and more
- go
- golang
- scientific-computing
- data-analysis
- matrix
- statistics
- +1 more
+2 stars
from 8,453 · score 1.10
+2 stars
from 3,773 · score 1.10
129.mikedh / trimesh
Python library for loading and using triangular meshes.
- mesh
- triangular-meshes
- geometry
- python
+2 stars
from 3,713 · score 1.10
130.FFTW / fftw3
DO NOT CHECK OUT THESE FILES FROM GITHUB UNLESS YOU KNOW WHAT YOU ARE DOING. (See below.)
+2 stars
from 3,110 · score 1.10
131.marcomusy / vedo
A python module for scientific analysis of 3D data based on VTK and Numpy
- 3d-graphics
- vtk
- 3d
- mesh
- simulations
- scientific-visualization
- +5 more
+2 stars
from 2,273 · score 1.10
132.zarr-developers / zarr-python
An implementation of chunked, compressed, N-dimensional arrays for Python.
- zarr
- ndimensional-arrays
- compressed
- python
+2 stars
from 2,079 · score 1.10
133.chaidiscovery / chai-lab
Chai-1, SOTA model for biomolecular structure prediction
+2 stars
from 2,006 · score 1.10
134.Aceinna / gnss-ins-sim
Open-source GNSS + inertial navigation, sensor fusion simulator. Motion trajectory generator, sensor models, and navigation
- inertial-navigation-systems
- gnss
- gps
- imu
- integrated-navigation
+2 stars
from 1,496 · score 1.10
135.trilinos / Trilinos
Primary repository for the Trilinos Project
- snl-science-libs
- sandia-national-laboratories
- hpsf
- scientific-computing
- high-performance-computing
- c-plus-plus
- +2 more
+2 stars
from 1,440 · score 1.10
136.symengine / symengine
SymEngine is a fast symbolic manipulation library, written in C++
- math
- computer-algebra
- c-plus-plus
+2 stars
from 1,424 · score 1.10
137.rsvp / fecon235
Notebooks for financial economics. Keywords: Jupyter notebook pandas Federal Reserve FRED Ferbus GDP CPI PCE inflation unemployment wage income debt Case-Shiller housing asset portfolio equities SPX bonds TIPS rates currency FX euro EUR USD JPY yen XAU gold Brent WTI oil Holt-Winters time-series forecasting statistics econometrics
- jupyter-notebook
- pandas
- federal-reserve
- gdp
- inflation
- housing
- +14 more
+2 stars
from 1,280 · score 1.10
138.psi4 / psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
- quantum-chemistry
- c-plus-plus
- python
- computational-chemistry
- chemistry
- physics
+2 stars
from 1,233 · score 1.10
139.python-adaptive / adaptive
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
- adaptive-learning
- machine-learning
- python
- live-plots
- parallel-computing
- adaptive-sampling
- +3 more
+2 stars
from 1,230 · score 1.10
140.kexinhuang12345 / DeepPurpose
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
- covid19
- virtual-screening
- +13 more
+2 stars
from 1,199 · score 1.10
141.suyashkumar / dicom
⚡High Performance DICOM Medical Image Parser in Go.
- dicom
- dicom-images
- golang
- golang-library
- golang-package
- parser
- +10 more
+2 stars
from 1,094 · score 1.10
142.3dmol / 3Dmol.js
WebGL accelerated JavaScript molecular graphics library
- molecular-graphics
- molecular-modeling
- computational-biology
- computational-chemistry
+2 stars
from 1,034 · score 1.10
143.nschloe / pygmsh
:spider_web: Gmsh for Python
- python
- pypi
- mesh-generation
- engineering
- mathematics
- meshing
+2 stars
from 974 · score 1.10
144.brandon-rhodes / pyephem
Scientific-grade astronomy routines for Python
+2 stars
from 898 · score 1.10
145.hypre-space / hypre
Parallel solvers for sparse linear systems featuring multigrid methods.
- math-physics
- library
- hpc
- radiuss
+2 stars
from 873 · score 1.10
146.mims-harvard / PrimeKG
Precision Medicine Knowledge Graph (PrimeKG)
- knowledge-graph
- precision-medicine
- therapeutics
- bioinformatics
- dataset
- graph-machine-learning
- +2 more
+2 stars
from 836 · score 1.10
147.mahmoodlab / UNI
Pathology Foundation Model - Nature Medicine
- foundation
- foundation-model
- histopathology
- mahmoodlab
- pathology
- uni
- +11 more
+2 stars
from 795 · score 1.10
148.Mariewelt / OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
- computational-chemistry
- computational-biology
- deep-learning
- deep-neural-networks
- graph-convolutional-networks
- drug-discovery
- +5 more
+2 stars
from 758 · score 1.10
149.vcflib / vcflib
C++ library and cmdline tools for parsing and manipulating VCF files with python and zig bindings
- variant-calling
- genomics
- vcf-manipulation
- genotyping
- haplotypecaller
+2 stars
from 687 · score 1.10
+2 stars
from 536 · score 1.10
151.mordred-descriptor / mordred
a molecular descriptor calculator
+2 stars
from 484 · score 1.10
152.MFlowCode / MFC
Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T grid points on 43K+ GPUs
+2 stars
from 437 · score 1.10
153.cclib / cclib
Parsers and algorithms for computational chemistry logfiles
- python
- computational-chemistry
- quantum-chemistry
+2 stars
from 431 · score 1.10
154.snap-stanford / GEARS
GEARS is a geometric deep learning model that predicts outcomes of novel multi-gene perturbations
+2 stars
from 420 · score 1.10
+2 stars
from 396 · score 1.10
156.Rolf-Hempel / PlanetarySystemStacker
Produce a sharp image of a planetary system object (moon, sun, planets) from many seeing-affected frames according to the "lucky imaging" technique.
+2 stars
from 345 · score 1.10
157.thinng / GraphDTA
GraphDTA: Predicting drug-target binding affinity with graph neural networks
+2 stars
from 309 · score 1.10
158.mdolab / OpenAeroStruct
OpenAeroStruct is a lightweight tool that performs aerostructural optimization using OpenMDAO.
- openmdao
- optimization
- aerodynamics
- open-source
+2 stars
from 286 · score 1.10
159.GeomScale / volesti
Practical volume computation and sampling in high dimensions
- geometry
- statistics
- polyhedral-computations
- random-walk
- sampling
- volume
- +6 more
+2 stars
from 193 · score 1.10
160.shmlkv / dna-claude-analysis
Run scripts, explore your genome, and get personalized explanations — all in natural dialogue.
- analysis
- claude
- claudecode
- dna
- genome
+2 stars
from 58 · score 1.10
161.tensorflow / tfjs-coreArchived
WebGL-accelerated ML // linear algebra // automatic differentiation for JavaScript.
- deep-learning
- typescript
- webgl
- javascript
- machine-learning
- neural-network
- +2 more
+1 stars
from 8,423 · score 0.69
+1 stars
from 6,456 · score 0.69
163.arrayfire / arrayfire
ArrayFire: a general purpose GPU library.
+1 stars
from 4,907 · score 0.69
164.pydata / xarray
N-D labeled arrays and datasets in Python
+1 stars
from 4,219 · score 0.69
165.RainerKuemmerle / g2o
g2o: A General Framework for Graph Optimization
- g2o
- slam
- c-plus-plus
- graph-optimization
- cpp
+1 stars
from 3,477 · score 0.69
166.PythonOT / POT
POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
- ot-mapping-estimation
- wasserstein-barycenter
- +10 more
+1 stars
from 2,859 · score 0.69
167.scikit-optimize / scikit-optimizeArchived
Sequential model-based optimization with a `scipy.optimize` interface
- bayesopt
- optimization
- scientific-computing
- machine-learning
- hyperparameter
- bayesian-optimization
- +9 more
+1 stars
from 2,830 · score 0.69
168.flame / blis
BLAS-like Library Instantiation Software Framework
- blis
- blas
- blas-libraries
- linear-algebra
- linear-algebra-library
- matrix-multiplication
- +8 more
+1 stars
from 2,697 · score 0.69
169.stevengj / nlopt
library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained, optimization
+1 stars
from 2,287 · score 0.69
170.DavidArayan / ezy-slice
An open source mesh slicer framework for Unity3D Game Engine. Written in C#.
+1 stars
from 2,280 · score 0.69
171.brick / math
Arbitrary-precision arithmetic library for PHP
- php
- arbitrary-precision
- biginteger
- bigdecimal
- bigrational
- gmp
- +1 more
+1 stars
from 2,179 · score 0.69
172.gradientspace / geometry3Sharp
C# library for 2D/3D geometric computation, mesh algorithms, and so on. Boost license.
+1 stars
from 1,903 · score 0.69
173.cpmech / gosl
Linear algebra, eigenvalues, FFT, Bessel, elliptic, orthogonal polys, geometry, NURBS, numerical quadrature, 3D transfinite interpolation, random numbers, Mersenne twister, probability distributions, optimisation, differential equations.
- scientific-computing
- linear-algebra
- differential-equations
- sparse-systems
- parallel-computations
- computational-geometry
- +6 more
+1 stars
from 1,885 · score 0.69
+1 stars
from 1,853 · score 0.69
175.DTolm / VkFFT
Vulkan/CUDA/HIP/OpenCL/Level Zero/Metal Fast Fourier Transform library
+1 stars
from 1,786 · score 0.69
176.NetTopologySuite / NetTopologySuite
A .NET GIS solution that is fast and reliable for the .NET platform.
- topology
- nts
- sfs
- c-sharp
- library
- jts
- +1 more
+1 stars
from 1,727 · score 0.69
+1 stars
from 1,573 · score 0.69
178.pmp-library / pmp-library
The Polygon Mesh Processing Library
- mesh-processing
- geometry-processing
- polygon-mesh
- triangle-mesh
- c-plus-plus
- surface-mesh
- +9 more
+1 stars
from 1,509 · score 0.69
+1 stars
from 1,363 · score 0.69
180.msteinbeck / tinyspline
ANSI C library for NURBS, B-Splines, and Bézier curves with interfaces for C++, C#, D, Go, Java, Javascript, Lua, Octave, PHP, Python, R, and Ruby.
- nurbs
- b-splines
- bezier-curves
- splines
+1 stars
from 1,356 · score 0.69
+1 stars
from 1,148 · score 0.69
182.kzampog / cilantro
A lean C++ library for working with point cloud data
- point-cloud
- icp
- ransac
- convex-hull
- 3d-visualization
- k-means
- +14 more
+1 stars
from 1,138 · score 0.69
183.uncomplicate / neanderthal
Fast Clojure Matrix Library
+1 stars
from 1,131 · score 0.69
184.hail-is / hail
Cloud-native genomic dataframes and batch computing
- genetics
- vcf
- genomics
- gwas
- bioinformatics
- python
- +2 more
+1 stars
from 1,081 · score 0.69
185.UniMath / UniMath
This rocq library aims to formalize a substantial body of mathematics using the univalent point of view.
- coq
- mathematics
- unimath
- coq-library
- foundations
- rocq
- +1 more
+1 stars
from 1,021 · score 0.69
186.gromacs / gromacs
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
+1 stars
from 973 · score 0.69
187.PetteriAimonen / libfixmath
Cross Platform Fixed Point Maths Library
+1 stars
from 888 · score 0.69
188.hjwdzh / QuadriFlow
QuadriFlow: A Scalable and Robust Method for Quadrangulation
- quadriflow
- quad
- remeshing
- quadrangulation
- geometry
+1 stars
from 881 · score 0.69
189.romeric / Fastor
A lightweight high performance tensor algebra framework for modern C++
+1 stars
from 843 · score 0.69
190.LiangliangNan / PolyFit
Polygonal Surface Reconstruction from Point Clouds (C++ & Python)
- surface-reconstruction
- urban-modeling
- urban-reconstruction
- primitive-extraction
- piecewise-planar-object
- sharp-feature
- +2 more
+1 stars
from 835 · score 0.69
191.ASC-Community / AngouriMath
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
+1 stars
from 831 · score 0.69
+1 stars
from 818 · score 0.69
193.sigma-py / quadpy
:triangular_ruler: Numerical integration (quadrature, cubature) in Python
- quadrature
- integration
- mathematics
- engineering
- cubature
+1 stars
from 785 · score 0.69
194.libMesh / libmesh
libMesh github repository
- fem
- finite-element-methods
- simulation
- parallel
- amr
- finite-element-analysis
- +2 more
+1 stars
from 761 · score 0.69
195.songlab-cal / tape
Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.
- deep-learning
- protein-sequences
- protein-structure
- semi-supervised-learning
- benchmark
- language-modeling
- +2 more
+1 stars
from 745 · score 0.69
196.Yixin-Hu / TetWild
Robust Tetrahedral Meshing in the Wild.
- geometry-processing
- tetrahedral-meshing
- surface-repair
- 3d-triangulation
+1 stars
from 723 · score 0.69
197.DedalusProject / dedalus
A flexible framework for solving PDEs with modern spectral methods.
- spectral-methods
- fluid-dynamics
- pde-solver
+1 stars
from 712 · score 0.69
198.jarun / bcal
:1234: Bits, bytes and general-purpose calculator
- storage
- storage-unit-converter
- command-line
- standalone
- terminal
- calculator
- +6 more
+1 stars
from 707 · score 0.69
199.johnmcfarlane / cnl
A Compositional Numeric Library for C++
+1 stars
from 695 · score 0.69
200.softwareQinc / qpp
Modern C++ quantum computing library
- quantum-computing
- c-plus-plus
- cpp
- cpp11
- quantum
- simulator
- +2 more
+1 stars
from 677 · score 0.69