Trending repositories
Ranked by Attention Score: stars gained over the last 180 complete days
1–100 of 150 by Attention Score · May 8, 2026 – Nov 3, 2026 (UTC)
3.PavelDoGreat / WebGL-Fluid-Simulation
Play with fluids in your browser (works even on mobile)
- fluid
- webgl
- simulation
- gpu
- navier-stokes
4.boyter / scc
Sloc, Cloc and Code: scc is a very fast accurate code counter with complexity calculations and COCOMO estimates written in pure Go
5.deepchem / deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
- materials-science
- hacktoberfest
6.jwohlwend / boltz
Official repository for the Boltz biomolecular interaction models
- binding-prediction
- drug-discovery
- protein-structure
7.OHIF / Viewers
OHIF zero-footprint DICOM viewer and oncology specific Lesion Tracker, plus shared extension packages
- nci-itcr
- nci-qin
- quantitative-imaging
- imaging-informatics
- cancer-imaging-research
- dicom
- +10 more
8.pyvista / pyvista
3D visualization and mesh analysis for science and engineering
- vtk
- python
- visualization
- 3d
- meshviewer
- scientific-visualization
- +6 more
9.guofei9987 / scikit-opt
Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)
- genetic-algorithm
- pso
- particle-swarm-optimization
- tsp
- travelling-salesman-problem
- simulated-annealing
- +7 more
10.aidenybai / million
Optimizing compiler for React
- hacktoberfest
- million
- millionjs
- virtual-dom
- react
- blockdom
- +11 more
11.Turfjs / turf
A modular geospatial engine written in JavaScript and TypeScript
- javascript
- algorithm
- computational-geometry
- geojson
- turf
- gis
- +3 more
13.mikedh / trimesh
Python library for loading and using triangular meshes.
- mesh
- triangular-meshes
- geometry
- python
14.pathsim / pathsim
A Python native dynamical system simulation framework in the block diagram paradigm.
- blockdiagram
- control-systems
- hierarchical-modeling
- nonlinear-dynamics
- simulation
- system-simulation
- +14 more
15.bayesian-optimization / BayesianOptimization
A Python implementation of global optimization with gaussian processes.
- optimization
- gaussian-processes
- bayesian-optimization
- python
- simple
16.facebookresearch / esmArchived
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
17.pydata / numexpr
Fast numerical array expression evaluator for Python, NumPy, Pandas, PyTables and more
20.zarr-developers / zarr-python
An implementation of chunked, compressed, N-dimensional arrays for Python.
- zarr
- ndimensional-arrays
- compressed
- python
22.gcorso / DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
- equivariance
- machine-learning
- +2 more
24.mims-harvard / PrimeKG
Precision Medicine Knowledge Graph (PrimeKG)
- knowledge-graph
- precision-medicine
- therapeutics
- bioinformatics
- dataset
- graph-machine-learning
- +2 more
25.deepmodeling / Uni-Mol
Official Repository for the Uni-Mol Series Methods
- molecular-modeling
- pre-trained-model
- pretraining
- deep-learning
26.MFlowCode / MFC
Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T grid points on 43K+ GPUs
27.HIPS / autograd
Efficiently computes derivatives of NumPy code.
- autograd
- automatic-differentiation
- numpy
- python
- deep-learning
- derivative
- +8 more
28.PythonOT / POT
POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
- ot-mapping-estimation
- wasserstein-barycenter
- +10 more
29.kjkrol / goke
High-performance, zero-allocation ECS for Go. Cache-friendly data orchestrator with type-safe iterators.
- ecs
- entity-component-system
- gamedev
- go
- goalng
- geme-engine
- +2 more
30.microsoft / DirectXMath
DirectXMath is an all inline SIMD C++ linear algebra library for use in games and graphics apps
31.DavidArayan / ezy-slice
An open source mesh slicer framework for Unity3D Game Engine. Written in C#.
33.OATML-Markslab / ProteinGym
Official repository for the ProteinGym benchmarks
- benchmark
- computational-biology
- protein
- protein-design
- protein-fitness
34.brick / math
Arbitrary-precision arithmetic library for PHP
- php
- arbitrary-precision
- biginteger
- bigdecimal
- bigrational
- gmp
- +1 more
35.paulmillr / noble-post-quantum
Auditable & minimal JS implementation of public-key post-quantum cryptography
- dilithium
- kyber
- ml-kem
- post-quantum-cryptography
- sphincs
- sphincs-plus
- +14 more
36.TUDelft-CNS-ATM / bluesky
The open source air traffic simulator
- python
- traffic
- aircraft
- simulation
- air-traffic-control
- air-transport
- +11 more
37.PyWavelets / pywt
PyWavelets - Wavelet Transforms in Python
- wavelets
- wavelet-transform
- signal-processing
- image-processing
- continuous-wavelet
38.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
39.ikpil / Box2D.NET
Box2D.NET - a C# port of Box2D, is a 2D physics engine for games, .NET, Unity3D, servers
- 2d
- 2d-game
- box2d
- csharp
- game
- game-development
- +8 more
40.songlab-cal / gpn
Genomic Pretrained Network - GPN, GPN-MSA, PhyloGPN, GPN-Star
- dna
- language-model
- variant-effect-prediction
- genomics
41.DTolm / VkFFT
Vulkan/CUDA/HIP/OpenCL/Level Zero/Metal Fast Fourier Transform library
42.vqdang / hover_net
Simultaneous Nuclear Instance Segmentation and Classification in H&E Histology Images.
43.RosettaCommons / RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
44.Teichlab / celltypist
A tool for semi-automatic cell type classification
- python
- single-cell
- machine-learning
- scrna-seq
- cell-type-classification
- label-transfer
45.suyashkumar / dicom
⚡High Performance DICOM Medical Image Parser in Go.
- dicom
- dicom-images
- golang
- golang-library
- golang-package
- parser
- +10 more
46.pmp-library / pmp-library
The Polygon Mesh Processing Library
- mesh-processing
- geometry-processing
- polygon-mesh
- triangle-mesh
- c-plus-plus
- surface-mesh
- +9 more
47.arneschneuing / DiffSBDD
A Euclidean diffusion model for structure-based drug design.
- ddpm
- drug-design
- equivariance
- generative-model
- graph-neural-networks
- machine-learning
48.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
49.MikeMcl / bignumber.js
A JavaScript library for arbitrary-precision decimal and non-decimal arithmetic
- bignumber
- javascript
- arbitrary-precision
- decimal-places
- bigdecimal
50.autodiff / autodiff
automatic differentiation made easier for C++
- automatic-differentiation
- auto-differentiation
- autodiff
- autodifferentiation
- differentiation
- derivatives
- +1 more
51.dpilger26 / NumCpp
C++ implementation of the Python Numpy library
- python
- numpy
- c-plus-plus
- numerical-analysis
- scientific-computing
- algorithms
- +3 more
52.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
53.molecularsets / moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
54.owlbarn / owl
Owl - OCaml Scientific Computing @ https://ocaml.xyz
- matrix
- linear-algebra
- ndarray
- statistical-functions
- topic-modeling
- regression
- +14 more
55.hail-is / hail
Cloud-native genomic dataframes and batch computing
- genetics
- vcf
- genomics
- gwas
- bioinformatics
- python
- +2 more
57.MLT-OSS / FirstData
The World's Most Comprehensive, Authoritative, and Structured Open Source Data Source Knowledge Base
- mcp
- data-sources
- ai
- awesome-list
- datasets
- fact-checking
- +14 more
58.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
59.agemagician / ProtTrans
ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.
60.microsoft / evodiff
Generation of protein sequences and evolutionary alignments via discrete diffusion models
- discrete-diffusion
- generative-model
- multiple-sequence-alignment
- protein-sequences
61.fbcosentino / godot-simplified-flightsim
Simplified Flight Simulation library (addon) for Godot Engine
62.softwareQinc / qpp
Modern C++ quantum computing library
- quantum-computing
- c-plus-plus
- cpp
- cpp11
- quantum
- simulator
- +2 more
63.brandon-rhodes / python-sgp4
Python version of the SGP4 satellite position library
64.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
65.Martinsos / edlib
Lightweight, super fast C/C++ (& Python) library for sequence alignment using edit (Levenshtein) distance.
- sequence-alignment
- edit-distance
- levehnstein-distance
- library
- c-plus-plus
- alignment-path
- +2 more
66.chainer / chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
- deep-learning
- chemistry
- neural-network
- biology
- chainer
- python
- +1 more
68.gao-lab / GLUE
Graph-linked unified embedding for single-cell multi-omics data integration
- bioinformatics
- deep-learning
- single-cell
- single-cell-multiomics
69.marcpinet / citracer
💬 Trace citation chains for any concept across research papers and render them as an interactive graph.
- academic-research
- bibliography
- citation-graph
- cli
- grobid
- literature-review
- +5 more
70.spatie / laravel-analytics
A Laravel package to retrieve pageviews and other data from Google Analytics
- laravel
- php
- analytics
- statistics
71.Habrador / Computational-geometry
Computational Geometry Unity library with implementations of intersection algorithms, triangulations like delaunay, voronoi diagrams, polygon clipping, bezier curves, ear clipping, convex hulls, mesh simplification, etc
- unity3d
- computational-geometry
- voronoi
- intersections
- convex-hull
- polygon-clipping
- +14 more
72.ljvmiranda921 / pyswarms
A research toolkit for particle swarm optimization in Python
- particle-swarm-optimization
- optimization-tools
- pso
- global-optimization
- swarm-intelligence
- machine-learning
- +5 more
73.ElliotXie / CASSIA
CASSIA: A Multi-Agent LLM-Based Single-Cell Cell Type Annotation Framework
- ai4science
- llm
- multiagent-systems
- prompt-engineering
- retrieved-augmented-generation
- singlecell
- +7 more
74.Necrom4 / calcium.nvim
Neovim plugin to calculate mathematical expressions within a buffer with visual mode, functions and variable support.
- calculator
- lua
- math
- neovim
- neovim-plugin
75.giacomelli / GeneticSharp
GeneticSharp is a fast, extensible, multi-platform and multithreading C# Genetic Algorithm library that simplifies the development of applications using Genetic Algorithms (GAs).
- genetic-algorithms
- artificial-intelligence
- c-sharp
- dotnet
- dotnet-core
- dotnet-standard
- +3 more
76.tequilahub / tequila
A High-Level Abstraction Framework for Quantum Algorithms
77.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
78.pyamg / pyamg
Algebraic Multigrid Solvers in Python
- amg
- solver
- python
- multigrid
- sparse-matrix
- pyamg
- +2 more
79.bebop / poly
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
- bioengineering
- computational-biology
- +14 more
80.clean-css / clean-css
Fast and efficient CSS optimizer for node.js and the Web
- css
- minification
- optimization
- css-optimizations
- css-optimizer
- clean-css
81.ASC-Community / AngouriMath
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
82.shenwei356 / taxonkit
A Practical and Efficient NCBI Taxonomy Toolkit, also supports creating NCBI-style taxdump files for custom taxonomies like GTDB/ICTV
- bioinformatics
- taxonomy
- cross-platform
- lineage
- lca
- taxid
- +2 more
83.theislab / chemCPA
Code for "Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution", NeurIPS 2022.
- disentanglement
- drug-discovery
- genomics
- perturbation
- single-cell
- transfer-learning
84.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
85.MolSSI / cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
- pytest
- conda-forge
- +2 more
86.vlang / vsl
V library to develop Artificial Intelligence and High-Performance Scientific Computations
- v
- hacktoberfest
- linear-algebra
- optimization
- sparse-systems
- computational-geometry
- +7 more
87.erayzesen / QuarkPhysics
A 2D Soft Body and Rigid Body Physics Engine.
- 2d-physics-engine
- game-development
- physics-engine
- rigid-bodies
- soft-bodies
- physics-simulation
88.romeric / Fastor
A lightweight high performance tensor algebra framework for modern C++
90.wengong-jin / icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
91.jimmyorourke / plotlypp
Plotly for C++. A C++ interface to the Plotly.js figure spec, for creating interactive data visualizations.
- charts
- cpp
- graphs
- plotly
- plotting
- visualization
- +4 more
92.kreshuklab / panseg
A tool for cell instance aware segmentation in densely packed 3D volumetric images
- segmentation
- deep-learning
- bioinformatics
- neural-network
- bioimage-analysis
- image-segmentation
- +1 more
93.cafferychen777 / ChatSpatial
MCP server for spatial transcriptomics analysis through natural language interfaces.
- bioinformatics
- cell-communication
- deconvolution
- machine-learning
- python
- single-cell
- +14 more
94.seyonechithrananda / bert-loves-chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
- huggingface
- bert
- chemical-modelling
- chemical-smiles-data
95.brndnmtthws / dryoc
Don't Roll Your Own Crypto: fast, type-safe, pure-Rust cryptography with post-quantum support
- libsodium
- crypto
- rust
- cryptography
- cryptography-library
- nacl
- +3 more
96.vlang / vtl
The V Tensor Library
- v
- hacktoberfest
- autograd
- deep-learning
- linear-algebra
- machine-learning
- +5 more
97.harmonydata / harmony
The Harmony Python library: a research tool for psychologists to harmonise data and questionnaire items. Open source.
- data-harmonization
- data-science
- depression
- harmonisation
- harmonization
- harmony
- +14 more
98.aeturrell / skimpy
skimpy is a light weight tool that provides summary statistics about variables in data frames within the console.
- eda
- pandas
- data-science
- exploratory-data-analysis
- summary-statistics
- statistics
99.DmitriBogdanov / UTL
Collection of self-contained header-only libraries for C++17
100.juan-leon / lowcharts
Tool to draw low-resolution graphs in terminal
- plot
- shell
- troubleshooting
- log
- analysis
- command-line
- +2 more