The fundamental package for scientific computing with Python.
- numpy
- python
Repository Index
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A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
- python
- spack
- package-manager
- hpc
Eclipse SUMO is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large networks. It allows for intermodal simulation including pedestrians and comes with a large set of tools for scenario creation.
- traffic
- simulation
- transport
A Laravel package to retrieve pageviews and other data from Google Analytics
Public development project of the LAMMPS MD software package
- molecular-dynamics
- lammps
- simulation
- kokkos
High performance, easy-to-use, and scalable machine learning (ML) package, including linear model (LR), factorization machines (FM), and field-aware factorization machines (FFM) for Python and CLI interface.
A well tested and comprehensive Golang statistics library package with no dependencies.
- statistics
- data
- stats
- machine-learning
CasADi is a symbolic framework for numeric optimization implementing automatic differentiation in forward and reverse modes on sparse matrix-valued computational graphs. It supports self-contained C-code generation and interfaces state-of-the-art codes such as SUNDIALS, IPOPT etc. It can be used from C++, Python, Matlab/Octave, Julia or Javascript
- optimization
- nonlinear
- derivatives
- code-generation
Machine Learning in R
- machine-learning
- data-science
- tuning
- cran
Random data generation in Swift
- swift
- random
- random-generation
- protocol
A curated list of Python packages related to chemistry
- chemistry
- quantum-chemistry
- python-chemistry
- molecular-dynamics
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
- quantum-chemistry
- c-plus-plus
- python
- computational-chemistry
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
MySQL Spatial Data Extension integration with Laravel.
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
A Python package to visualise neuroanatomical data in atlas space
- neuroscience
- python
- anatomy
- visualization
⚗ A package useful for chemistry written in Python
- chemistry
- physical-chemistry
- chemical-kinetics
- chemical-formulas
Numerical linear algebra software package
- linear-algebra
- hpc
- gpu-computing
- cuda
A Swift micro library for generating Sunrise and Sunset times on device, requiring no network access.
- swift
- sunrise
- sunset
- ios
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
A Modern Fortran JSON API
- json
- fortran
- fortran-package-manager
A Flutter Package to render Mathematics, Physics and Chemistry Equations based on LaTeX
A GTK / Fortran binding, and its documentation (in the Wiki tab).
Native R and Python sample-deletion robustness for omics: candidate certificates, minimum deletion bounds, Bioconductor model refits and donor-level pseudobulk
- bioinformatics
- exact-optimization
- metabolomics
- paired-data