Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
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The fundamental package for scientific computing with Python.
- numpy
- python
SciPy library main repository
- python
- scipy
- algorithms
- closember
A computer algebra system written in pure Python
NumPy & SciPy for GPU
- cuda
- cudnn
- cublas
- cusolver
PyTorch3D is FAIR's library of reusable components for deep learning with 3D data
AI Toolkit for Healthcare Imaging
- healthcare-imaging
- deep-learning
- medical-image-computing
- medical-image-processing
A Python implementation of global optimization with gaussian processes.
- optimization
- gaussian-processes
- bayesian-optimization
- python
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
N-D labeled arrays and datasets in Python
Mesa is an open-source Python library for agent-based modeling, ideal for simulating complex systems and exploring emergent behaviors.
- mesa
- agent-based-modeling
- agent-based-simulation
- simulation-framework
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.
Fast numerical array expression evaluator for Python, NumPy, Pandas, PyTables and more
Message Passing Neural Networks for Molecule Property Prediction
- machine-learning
- chemistry
- neural-networks
- drug-discovery
A python module for scientific analysis of 3D data based on VTK and Numpy
- 3d-graphics
- vtk
- 3d
- mesh
Source code of PyGAD, a Python 3 library for building the genetic algorithm and training machine learning algorithms (Keras & PyTorch).
- python
- genetic-algorithm
- optimization
- numpy
QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
An implementation of chunked, compressed, N-dimensional arrays for Python.
- zarr
- ndimensional-arrays
- compressed
- python
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
Python+Numpy+OpenGL: fast, scalable and beautiful scientific visualization
Brian is a free, open source simulator for spiking neural networks.
- python
- neuroscience
- science
- differential-equations