The fundamental package for scientific computing with Python.
- numpy
- python
Repository Index
47,133 repositories indexed
1–24 of 38 · Most stars
SciPy library main repository
- python
- scipy
- algorithms
- closember
A computer algebra system written in pure Python
AI Toolkit for Healthcare Imaging
- healthcare-imaging
- deep-learning
- medical-image-computing
- medical-image-processing
Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.
- quantum-computing
- qiskit
- sdk
- quantum-programming-language
Efficiently computes derivatives of NumPy code.
- autograd
- automatic-differentiation
- numpy
- python
Python framework for creating, editing, and running Noisy Intermediate-Scale Quantum (NISQ) circuits.
- nisq
- quantum-algorithms
- quantum-computing
- cirq
PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.
QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
A Python library for quantum programming using Quil.
- forest
- quil
- quantum-computing
- quantum-programming
Brian is a free, open source simulator for spiking neural networks.
- python
- neuroscience
- science
- differential-equations
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
- adaptive-learning
- machine-learning
- python
- live-plots
Cloud-native genomic dataframes and batch computing
- genetics
- vcf
- genomics
- gwas
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
Interactive network visualization in Python and Dash, powered by Cytoscape.js
- plotly-dash
- plotly
- dash
- cytoscape
FiPy is a Finite Volume PDE solver written in Python
- scientific-computing
- scientific-computing-with-python
- phase-field
- materials-science
Main yt repository
- data
- visualization
- analysis
- python
Vision-Language Pathology Foundation Model - Nature Medicine
- bioimage-analysis
- bioimage-informatics
- conch
- foundation-model
A Python native dynamical system simulation framework in the block diagram paradigm.
- blockdiagram
- control-systems
- hierarchical-modeling
- nonlinear-dynamics
Tools for computational pathology
- machine-learning
- digital-pathology
- computational-pathology
- biomedical-image-processing
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
Parsers and algorithms for computational chemistry logfiles
- python
- computational-chemistry
- quantum-chemistry
Quantum Computer Library for Everyone
- quantum
- python
- quantum-computing
- quantum-algorithms