Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
Repository Index
47,133 repositories indexed
1–24 of 100 · Most stars
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
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
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
Astronomy and astrophysics core library
Official git repository for Biopython (originally converted from CVS)
- python
- bioinformatics
- genomics
- biopython
Python framework for creating, editing, and running Noisy Intermediate-Scale Quantum (NISQ) circuits.
- nisq
- quantum-algorithms
- quantum-computing
- cirq
Manipulation and analysis of geometric objects
Official repository for the Boltz biomolecular interaction models
- binding-prediction
- drug-discovery
- protein-structure
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
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
Python library for loading and using triangular meshes.
- mesh
- triangular-meshes
- geometry
- python
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.
Code for running RFdiffusion
POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
This package contains deep learning models and related scripts for RoseTTAFold
A python module for scientific analysis of 3D data based on VTK and Numpy
- 3d-graphics
- vtk
- 3d
- mesh
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
Chai-1, SOTA model for biomolecular structure prediction