Trending repositories
Ranked by Attention Score: stars gained over the last 90 complete days
1–100 of 163 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.snap-stanford / GEARS
GEARS is a geometric deep learning model that predicts outcomes of novel multi-gene perturbations
29.PythonOT / POT
POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
- ot-mapping-estimation
- wasserstein-barycenter
- +10 more
30.RosettaCommons / RoseTTAFold
This package contains deep learning models and related scripts for RoseTTAFold
31.brick / math
Arbitrary-precision arithmetic library for PHP
- php
- arbitrary-precision
- biginteger
- bigdecimal
- bigrational
- gmp
- +1 more
32.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
33.TUDelft-CNS-ATM / bluesky
The open source air traffic simulator
- python
- traffic
- aircraft
- simulation
- air-traffic-control
- air-transport
- +11 more
34.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.
35.OATML-Markslab / ProteinGym
Official repository for the ProteinGym benchmarks
- benchmark
- computational-biology
- protein
- protein-design
- protein-fitness
36.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
37.DavidArayan / ezy-slice
An open source mesh slicer framework for Unity3D Game Engine. Written in C#.
39.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
40.suyashkumar / dicom
⚡High Performance DICOM Medical Image Parser in Go.
- dicom
- dicom-images
- golang
- golang-library
- golang-package
- parser
- +10 more
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.pydata / numexpr
Fast numerical array expression evaluator for Python, NumPy, Pandas, PyTables and more
44.PyWavelets / pywt
PyWavelets - Wavelet Transforms in Python
- wavelets
- wavelet-transform
- signal-processing
- image-processing
- continuous-wavelet
45.dpilger26 / NumCpp
C++ implementation of the Python Numpy library
- python
- numpy
- c-plus-plus
- numerical-analysis
- scientific-computing
- algorithms
- +3 more
46.arneschneuing / DiffSBDD
A Euclidean diffusion model for structure-based drug design.
- ddpm
- drug-design
- equivariance
- generative-model
- graph-neural-networks
- machine-learning
47.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
48.autodiff / autodiff
automatic differentiation made easier for C++
- automatic-differentiation
- auto-differentiation
- autodiff
- autodifferentiation
- differentiation
- derivatives
- +1 more
49.Teichlab / celltypist
A tool for semi-automatic cell type classification
- python
- single-cell
- machine-learning
- scrna-seq
- cell-type-classification
- label-transfer
50.facebookresearch / esmArchived
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
51.pmp-library / pmp-library
The Polygon Mesh Processing Library
- mesh-processing
- geometry-processing
- polygon-mesh
- triangle-mesh
- c-plus-plus
- surface-mesh
- +9 more
52.owlbarn / owl
Owl - OCaml Scientific Computing @ https://ocaml.xyz
- matrix
- linear-algebra
- ndarray
- statistical-functions
- topic-modeling
- regression
- +14 more
53.ElliotXie / autozyme
Autonomous multi-agent framework to optimize scientific software
- acceleration
- agentic-ai
- ai-agents
- bioinformatics
- code-optimization
- genomics
- +11 more
54.hail-is / hail
Cloud-native genomic dataframes and batch computing
- genetics
- vcf
- genomics
- gwas
- bioinformatics
- python
- +2 more
56.microsoft / evodiff
Generation of protein sequences and evolutionary alignments via discrete diffusion models
- discrete-diffusion
- generative-model
- multiple-sequence-alignment
- protein-sequences
57.softwareQinc / qpp
Modern C++ quantum computing library
- quantum-computing
- c-plus-plus
- cpp
- cpp11
- quantum
- simulator
- +2 more
58.chainer / chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
- deep-learning
- chemistry
- neural-network
- biology
- chainer
- python
- +1 more
59.brandon-rhodes / python-sgp4
Python version of the SGP4 satellite position library
60.MikeMcl / bignumber.js
A JavaScript library for arbitrary-precision decimal and non-decimal arithmetic
- bignumber
- javascript
- arbitrary-precision
- decimal-places
- bigdecimal
61.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
62.molecularsets / moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
63.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
64.spatie / laravel-analytics
A Laravel package to retrieve pageviews and other data from Google Analytics
- laravel
- php
- analytics
- statistics
65.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
66.gao-lab / GLUE
Graph-linked unified embedding for single-cell multi-omics data integration
- bioinformatics
- deep-learning
- single-cell
- single-cell-multiomics
67.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
68.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
69.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
70.ASC-Community / AngouriMath
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
71.pyamg / pyamg
Algebraic Multigrid Solvers in Python
- amg
- solver
- python
- multigrid
- sparse-matrix
- pyamg
- +2 more
72.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
75.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
76.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
77.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.
78.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
79.tequilahub / tequila
A High-Level Abstraction Framework for Quantum Algorithms
80.peterstace / simplefeatures
Simple Features is a pure Go Implementation of the OpenGIS Simple Feature Access Specification
81.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
82.clean-css / clean-css
Fast and efficient CSS optimizer for node.js and the Web
- css
- minification
- optimization
- css-optimizations
- css-optimizer
- clean-css
83.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
84.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
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.fbcosentino / godot-simplified-flightsim
Simplified Flight Simulation library (addon) for Godot Engine
87.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
88.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
89.kzampog / cilantro
A lean C++ library for working with point cloud data
- point-cloud
- icp
- ransac
- convex-hull
- 3d-visualization
- k-means
- +14 more
90.rawify / Fraction.js
The RAW rational numbers library written in JavaScript
- fraction
- javascript
- math
- rational-numbers
- numbers
91.vlang / vtl
The V Tensor Library
- v
- hacktoberfest
- autograd
- deep-learning
- linear-algebra
- machine-learning
- +5 more
92.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
93.erayzesen / QuarkPhysics
A 2D Soft Body and Rigid Body Physics Engine.
- 2d-physics-engine
- game-development
- physics-engine
- rigid-bodies
- soft-bodies
- physics-simulation
94.juan-leon / lowcharts
Tool to draw low-resolution graphs in terminal
- plot
- shell
- troubleshooting
- log
- analysis
- command-line
- +2 more
95.mojaie / MolecularGraph.jl
Graph-based molecule modeling toolkit for cheminformatics
- cheminformatics
- molecular-modeling
- chemistry
- toolkit
- julia
- julia-language
- +3 more
96.sustainable-processes / summit
Optimising chemical reactions using machine learning
- chemistry
- machine-learning
- optimization
- bayesian-optimization
- neural-networks
- drug-discovery
- +4 more
98.bebop / poly
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
- bioengineering
- computational-biology
- +14 more
99.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
100.vlang / vsl
V library to develop Artificial Intelligence and High-Performance Scientific Computations
- v
- hacktoberfest
- linear-algebra
- optimization
- sparse-systems
- computational-geometry
- +7 more