Trending repositories
Ranked by Attention Score: stars gained over the last 90 complete days
1–100 of 162 by Attention Score · Aug 6, 2026 – Nov 3, 2026 (UTC)
2.PavelDoGreat / WebGL-Fluid-Simulation
Play with fluids in your browser (works even on mobile)
- fluid
- webgl
- simulation
- gpu
- navier-stokes
3.boyter / scc
Sloc, Cloc and Code: scc is a very fast accurate code counter with complexity calculations and COCOMO estimates written in pure Go
4.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.Turfjs / turf
A modular geospatial engine written in JavaScript and TypeScript
- javascript
- algorithm
- computational-geometry
- geojson
- turf
- gis
- +3 more
11.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
13.mikedh / trimesh
Python library for loading and using triangular meshes.
- mesh
- triangular-meshes
- geometry
- python
17.bayesian-optimization / BayesianOptimization
A Python implementation of global optimization with gaussian processes.
- optimization
- gaussian-processes
- bayesian-optimization
- python
- simple
19.zarr-developers / zarr-python
An implementation of chunked, compressed, N-dimensional arrays for Python.
- zarr
- ndimensional-arrays
- compressed
- python
20.MFlowCode / MFC
Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T grid points on 43K+ GPUs
21.gcorso / DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
- equivariance
- machine-learning
- +2 more
22.HIPS / autograd
Efficiently computes derivatives of NumPy code.
- autograd
- automatic-differentiation
- numpy
- python
- deep-learning
- derivative
- +8 more
23.deepmodeling / Uni-Mol
Official Repository for the Uni-Mol Series Methods
- molecular-modeling
- pre-trained-model
- pretraining
- deep-learning
24.aidenybai / million
Optimizing compiler for React
- hacktoberfest
- million
- millionjs
- virtual-dom
- react
- blockdom
- +11 more
25.songlab-cal / gpn
Genomic Pretrained Network - GPN, GPN-MSA, PhyloGPN, GPN-Star
- dna
- language-model
- variant-effect-prediction
- genomics
26.mims-harvard / PrimeKG
Precision Medicine Knowledge Graph (PrimeKG)
- knowledge-graph
- precision-medicine
- therapeutics
- bioinformatics
- dataset
- graph-machine-learning
- +2 more
27.microsoft / DirectXMath
DirectXMath is an all inline SIMD C++ linear algebra library for use in games and graphics apps
28.PythonOT / POT
POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
- ot-mapping-estimation
- wasserstein-barycenter
- +10 more
29.RosettaCommons / RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
30.brick / math
Arbitrary-precision arithmetic library for PHP
- php
- arbitrary-precision
- biginteger
- bigdecimal
- bigrational
- gmp
- +1 more
31.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
32.TUDelft-CNS-ATM / bluesky
The open source air traffic simulator
- python
- traffic
- aircraft
- simulation
- air-traffic-control
- air-transport
- +11 more
33.zoharbabin / web-researcher-mcp
Search the web and primary sources, read full pages, and check every citation. MCP server for Claude, Cursor, Codex and more. Runs on your machine.
34.OATML-Markslab / ProteinGym
Official repository for the ProteinGym benchmarks
- benchmark
- computational-biology
- protein
- protein-design
- protein-fitness
35.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
36.DavidArayan / ezy-slice
An open source mesh slicer framework for Unity3D Game Engine. Written in C#.
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.suyashkumar / dicom
⚡High Performance DICOM Medical Image Parser in Go.
- dicom
- dicom-images
- golang
- golang-library
- golang-package
- parser
- +10 more
40.DTolm / VkFFT
Vulkan/CUDA/HIP/OpenCL/Level Zero/Metal Fast Fourier Transform library
41.vqdang / hover_net
Simultaneous Nuclear Instance Segmentation and Classification in H&E Histology Images.
42.pydata / numexpr
Fast numerical array expression evaluator for Python, NumPy, Pandas, PyTables and more
43.PyWavelets / pywt
PyWavelets - Wavelet Transforms in Python
- wavelets
- wavelet-transform
- signal-processing
- image-processing
- continuous-wavelet
44.dpilger26 / NumCpp
C++ implementation of the Python Numpy library
- python
- numpy
- c-plus-plus
- numerical-analysis
- scientific-computing
- algorithms
- +3 more
45.arneschneuing / DiffSBDD
A Euclidean diffusion model for structure-based drug design.
- ddpm
- drug-design
- equivariance
- generative-model
- graph-neural-networks
- machine-learning
46.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
47.autodiff / autodiff
automatic differentiation made easier for C++
- automatic-differentiation
- auto-differentiation
- autodiff
- autodifferentiation
- differentiation
- derivatives
- +1 more
48.Teichlab / celltypist
A tool for semi-automatic cell type classification
- python
- single-cell
- machine-learning
- scrna-seq
- cell-type-classification
- label-transfer
49.facebookresearch / esmArchived
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
50.pmp-library / pmp-library
The Polygon Mesh Processing Library
- mesh-processing
- geometry-processing
- polygon-mesh
- triangle-mesh
- c-plus-plus
- surface-mesh
- +9 more
51.owlbarn / owl
Owl - OCaml Scientific Computing @ https://ocaml.xyz
- matrix
- linear-algebra
- ndarray
- statistical-functions
- topic-modeling
- regression
- +14 more
52.ElliotXie / autozyme
Autonomous multi-agent framework to optimize scientific software
- acceleration
- agentic-ai
- ai-agents
- bioinformatics
- code-optimization
- genomics
- +11 more
53.hail-is / hail
Cloud-native genomic dataframes and batch computing
- genetics
- vcf
- genomics
- gwas
- bioinformatics
- python
- +2 more
55.microsoft / evodiff
Generation of protein sequences and evolutionary alignments via discrete diffusion models
- discrete-diffusion
- generative-model
- multiple-sequence-alignment
- protein-sequences
56.softwareQinc / qpp
Modern C++ quantum computing library
- quantum-computing
- c-plus-plus
- cpp
- cpp11
- quantum
- simulator
- +2 more
57.chainer / chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
- deep-learning
- chemistry
- neural-network
- biology
- chainer
- python
- +1 more
58.brandon-rhodes / python-sgp4
Python version of the SGP4 satellite position library
59.MikeMcl / bignumber.js
A JavaScript library for arbitrary-precision decimal and non-decimal arithmetic
- bignumber
- javascript
- arbitrary-precision
- decimal-places
- bigdecimal
60.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
61.molecularsets / moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
62.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
63.spatie / laravel-analytics
A Laravel package to retrieve pageviews and other data from Google Analytics
- laravel
- php
- analytics
- statistics
64.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
65.gao-lab / GLUE
Graph-linked unified embedding for single-cell multi-omics data integration
- bioinformatics
- deep-learning
- single-cell
- single-cell-multiomics
66.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
67.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
68.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
69.ASC-Community / AngouriMath
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
70.pyamg / pyamg
Algebraic Multigrid Solvers in Python
- amg
- solver
- python
- multigrid
- sparse-matrix
- pyamg
- +2 more
71.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
73.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
74.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
75.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.
76.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
77.tequilahub / tequila
A High-Level Abstraction Framework for Quantum Algorithms
78.peterstace / simplefeatures
Simple Features is a pure Go Implementation of the OpenGIS Simple Feature Access Specification
79.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
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.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
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.MolSSI / cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
- pytest
- conda-forge
- +2 more
84.fbcosentino / godot-simplified-flightsim
Simplified Flight Simulation library (addon) for Godot Engine
85.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
86.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
87.kzampog / cilantro
A lean C++ library for working with point cloud data
- point-cloud
- icp
- ransac
- convex-hull
- 3d-visualization
- k-means
- +14 more
88.rawify / Fraction.js
The RAW rational numbers library written in JavaScript
- fraction
- javascript
- math
- rational-numbers
- numbers
89.vlang / vtl
The V Tensor Library
- v
- hacktoberfest
- autograd
- deep-learning
- linear-algebra
- machine-learning
- +5 more
90.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
91.erayzesen / QuarkPhysics
A 2D Soft Body and Rigid Body Physics Engine.
- 2d-physics-engine
- game-development
- physics-engine
- rigid-bodies
- soft-bodies
- physics-simulation
92.juan-leon / lowcharts
Tool to draw low-resolution graphs in terminal
- plot
- shell
- troubleshooting
- log
- analysis
- command-line
- +2 more
93.mojaie / MolecularGraph.jl
Graph-based molecule modeling toolkit for cheminformatics
- cheminformatics
- molecular-modeling
- chemistry
- toolkit
- julia
- julia-language
- +3 more
94.sustainable-processes / summit
Optimising chemical reactions using machine learning
- chemistry
- machine-learning
- optimization
- bayesian-optimization
- neural-networks
- drug-discovery
- +4 more
96.bebop / poly
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
- bioengineering
- computational-biology
- +14 more
97.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
98.vlang / vsl
V library to develop Artificial Intelligence and High-Performance Scientific Computations
- v
- hacktoberfest
- linear-algebra
- optimization
- sparse-systems
- computational-geometry
- +7 more
99.maximtrp / scikit-posthocs
Multiple Pairwise Comparisons (Post Hoc) Tests in Python
- posthoc-comparisons
- posthoc-tests
- python
- scikit
- statistical-analysis
- statistics
- +1 more
100.MaxHalford / eaopt
:four_leaf_clover: Evolutionary optimization library for Go (genetic algorithm, partical swarm optimization, differential evolution)
- go
- optimization
- parallel
- machine-learning
- genetic-algorithm
- speciation
- +5 more