Trending repositories
Ranked by Attention Score: stars gained over the last 180 complete days
1–100 of 157 by Attention Score · May 9, 2026 – Nov 4, 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
23.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.snap-stanford / UCE
UCE is a zero-shot foundation model for single-cell gene expression data
25.mims-harvard / PrimeKG
Precision Medicine Knowledge Graph (PrimeKG)
- knowledge-graph
- precision-medicine
- therapeutics
- bioinformatics
- dataset
- graph-machine-learning
- +2 more
26.deepmodeling / Uni-Mol
Official Repository for the Uni-Mol Series Methods
- molecular-modeling
- pre-trained-model
- pretraining
- deep-learning
27.MFlowCode / MFC
Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T grid points on 43K+ GPUs
28.HIPS / autograd
Efficiently computes derivatives of NumPy code.
- autograd
- automatic-differentiation
- numpy
- python
- deep-learning
- derivative
- +8 more
29.PythonOT / POT
POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
- ot-mapping-estimation
- wasserstein-barycenter
- +10 more
30.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
31.snap-stanford / GEARS
GEARS is a geometric deep learning model that predicts outcomes of novel multi-gene perturbations
32.microsoft / DirectXMath
DirectXMath is an all inline SIMD C++ linear algebra library for use in games and graphics apps
33.DavidArayan / ezy-slice
An open source mesh slicer framework for Unity3D Game Engine. Written in C#.
35.OATML-Markslab / ProteinGym
Official repository for the ProteinGym benchmarks
- benchmark
- computational-biology
- protein
- protein-design
- protein-fitness
36.brick / math
Arbitrary-precision arithmetic library for PHP
- php
- arbitrary-precision
- biginteger
- bigdecimal
- bigrational
- gmp
- +1 more
37.TUDelft-CNS-ATM / bluesky
The open source air traffic simulator
- python
- traffic
- aircraft
- simulation
- air-traffic-control
- air-transport
- +11 more
38.PyWavelets / pywt
PyWavelets - Wavelet Transforms in Python
- wavelets
- wavelet-transform
- signal-processing
- image-processing
- continuous-wavelet
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.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.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
47.arneschneuing / DiffSBDD
A Euclidean diffusion model for structure-based drug design.
- ddpm
- drug-design
- equivariance
- generative-model
- graph-neural-networks
- machine-learning
48.pmp-library / pmp-library
The Polygon Mesh Processing Library
- mesh-processing
- geometry-processing
- polygon-mesh
- triangle-mesh
- c-plus-plus
- surface-mesh
- +9 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.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
52.molecularsets / moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
53.dpilger26 / NumCpp
C++ implementation of the Python Numpy library
- python
- numpy
- c-plus-plus
- numerical-analysis
- scientific-computing
- algorithms
- +3 more
54.hail-is / hail
Cloud-native genomic dataframes and batch computing
- genetics
- vcf
- genomics
- gwas
- bioinformatics
- python
- +2 more
55.dan2097 / opsin
Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
56.owlbarn / owl
Owl - OCaml Scientific Computing @ https://ocaml.xyz
- matrix
- linear-algebra
- ndarray
- statistical-functions
- topic-modeling
- regression
- +14 more
58.hms-dbmi / viv
Library for multiscale visualization of high-resolution multiplexed bioimaging data on the web. Directly renders Zarr and OME-TIFF.
- hubmap
- imaging
- openmicroscopy
- ome-tiff
- zarr
- viv
- +1 more
59.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
60.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.
61.microsoft / evodiff
Generation of protein sequences and evolutionary alignments via discrete diffusion models
- discrete-diffusion
- generative-model
- multiple-sequence-alignment
- protein-sequences
62.softwareQinc / qpp
Modern C++ quantum computing library
- quantum-computing
- c-plus-plus
- cpp
- cpp11
- quantum
- simulator
- +2 more
63.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
64.gao-lab / GLUE
Graph-linked unified embedding for single-cell multi-omics data integration
- bioinformatics
- deep-learning
- single-cell
- single-cell-multiomics
65.brandon-rhodes / python-sgp4
Python version of the SGP4 satellite position library
67.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
69.chainer / chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
- deep-learning
- chemistry
- neural-network
- biology
- chainer
- python
- +1 more
70.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
71.spatie / laravel-analytics
A Laravel package to retrieve pageviews and other data from Google Analytics
- laravel
- php
- analytics
- statistics
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.architecture-building-systems / CityEnergyAnalyst
City Energy Analyst (CEA) is an open-source urban building energy modeling (UBEM) platform and computation tool for the design of low-carbon and highly efficient cities.
- python
- urban-design
- urban-analytics
- ubem
- open-source
- decarbonization
- +5 more
74.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
75.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
76.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
77.tequilahub / tequila
A High-Level Abstraction Framework for Quantum Algorithms
78.SoloByte / godot-polygon2d-fracture
A simple script for fracturing polygons. Also adds nice helper functions for polygons like calculateArea, triangulate, getRandomPointsInPolygon, getBoundingRect)
- gdscript
- polygon2d-fracture
- godot-engine
- godot
- polygon-triangulation
- gamedev-library
- +7 more
79.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
80.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
81.pyamg / pyamg
Algebraic Multigrid Solvers in Python
- amg
- solver
- python
- multigrid
- sparse-matrix
- pyamg
- +2 more
83.bebop / poly
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
- bioengineering
- computational-biology
- +14 more
84.clean-css / clean-css
Fast and efficient CSS optimizer for node.js and the Web
- css
- minification
- optimization
- css-optimizations
- css-optimizer
- clean-css
85.ASC-Community / AngouriMath
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
86.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
87.MolSSI / cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
- pytest
- conda-forge
- +2 more
88.vlang / vsl
V library to develop Artificial Intelligence and High-Performance Scientific Computations
- v
- hacktoberfest
- linear-algebra
- optimization
- sparse-systems
- computational-geometry
- +7 more
89.govalues / decimal
Correctly rounded decimals for Go
- decimal
- financial
- floating-point
- general-decimal-arithmetic
- go
- golang
- +2 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
92.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
93.wengong-jin / icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
94.vlang / vtl
The V Tensor Library
- v
- hacktoberfest
- autograd
- deep-learning
- linear-algebra
- machine-learning
- +5 more
95.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
96.cafferychen777 / ChatSpatial
MCP server for spatial transcriptomics analysis through natural language interfaces.
- bioinformatics
- cell-communication
- deconvolution
- machine-learning
- python
- single-cell
- +14 more
97.romeric / Fastor
A lightweight high performance tensor algebra framework for modern C++
98.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
99.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
100.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