The fundamental package for scientific computing with Python.
- numpy
- python
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The open-source AI research workbench for scientific research and agent workflows. Local-first, model-agnostic desktop app with extensible skills, MCP tools and connectors, Python/R execution and traceable artifacts for reproducible research on macOS, Windows and Linux.
- ai-for-science
- local-first
- reproducible-research
- open-science
OHIF zero-footprint DICOM viewer and oncology specific Lesion Tracker, plus shared extension packages
- nci-itcr
- nci-qin
- quantitative-imaging
- imaging-informatics
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
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
This package contains deep learning models and related scripts for RoseTTAFold
This curated list contains python packages for time series analysis
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
- quantum-chemistry
- c-plus-plus
- python
- computational-chemistry
⚡High Performance DICOM Medical Image Parser in Go.
- dicom
- dicom-images
- golang
- golang-library
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
The Point Processing Toolkit (pptk) is a Python package for visualizing and processing 2-d/3-d point clouds.
- pointclouds
- 3-d
- visualization
- lidar
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
R package for detecting doublets in single-cell RNA sequencing data
A Python Package for Protein Dynamics Analysis
- python
- protein
- dynamics
SCENIC is an R package to infer Gene Regulatory Networks and cell types from single-cell RNA-seq data.
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
A performance oriented 2D/3D math package for Go