Scientific Computing
Showing 36 of 329 projects
An open-source suite of ab initio quantum chemistry programs for high-accuracy molecular simulations, written in C++ with a Python driver.
A lean and fast C++ library for 3D point cloud data processing with efficient implementations of common operations.
A high-performance Clojure library for matrix and linear algebra computations using optimized BLAS/LAPACK routines on CPU and GPU.
A Ruby library that enables direct calling of Python functions and modules with automatic type conversion.
A Jupyter notebook extension for interactive geospatial visualization and analysis.
An open-source workflow management system for bioinformatics that scales from one-off use cases to massive production environments.
An open-source, Python-based data analysis tool with specialized data types and methods for genomic data at scale.
A Ruby library for data analysis with DataFrame and Vector structures, offering storage, manipulation, and visualization.
Hardware-accelerated, batchable, and differentiable optimization algorithms implemented in JAX for machine learning research.
A Python library for building Generalized Additive Models (GAMs) with a scikit-learn-like API, emphasizing interpretability and performance.
A meta gem that bundles scientific computing and visualization libraries for Ruby, enabling data analysis and plotting.
A Python / Three.js bridge for creating interactive 3D visualizations in Jupyter notebooks.
A Python interface to Gmsh for creating complex geometries and generating meshes with useful abstractions.
A Scala library for type-safe quantities, units of measure, and dimensional analysis.
A Ruby kernel for Jupyter notebooks, enabling interactive data science and computational workflows in Ruby.
A JavaScript library for scientific and statistical computing, offering R-like statistical methods and linear algebra.
A platform for creating and publishing dynamic, data-driven documents with built-in code execution and collaboration.
A curated list of awesome cheminformatics software, libraries, resources, and tools, primarily command-line based and open-source.
A header-only C++ library for solving large sparse linear systems using algebraic multigrid (AMG) method with support for GPU acceleration.
A header-only C++ library for solving large-scale eigenvalue problems, built on top of Eigen.
A lightweight, header-only C++ tensor algebra framework delivering bare-metal performance for small matrix/tensor operations via compile-time optimizations.
Rust bindings for ArrayFire, a high-performance parallel computing library with support for CUDA, OpenCL, and CPU backends.
An MVC web stack written in Fortran 90, enabling web development with Fortran's native array handling.
A comprehensive statistical computation library for Rust, providing distributions, functions, and utilities for scientific computing.
A Python framework for creating flexible and robust spike sorting pipelines in neuroscience electrophysiology.
A comprehensive Python library offering over 1500 numerical integration schemes for 1D, 2D, and nD domains with support for complex, vector, and matrix-valued functions.
A high-performance GPU rendering library for scientific data visualization, built on Vulkan and up to 10,000x faster than matplotlib.
A Python library for creating ternary plots (triangular diagrams) using Matplotlib.
A JAX-powered library for solving large-scale optimal transport problems, including matching, barycenters, and neural approximations.
An open-source high-performance computing platform for systems analysis and multidisciplinary optimization, written in Python.
A C++ vector expression template library for OpenCL, CUDA, and OpenMP that simplifies GPGPU development.
A Python library for reading, writing, and analyzing molecular dynamics trajectories with support for numerous file formats.
Official implementation of the LargeVis algorithm for visualizing large-scale, high-dimensional data and networks.
A Rust numeric library for linear algebra, numerical analysis, statistics, and machine learning with high performance and syntax inspired by R, MATLAB, and Python.
A flexible, efficient, and extensible JIT-compiled framework for computational neuroscience and brain-inspired computation.
A Python library built on JAX for studying many-body quantum systems using neural networks and machine learning.
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