Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
Repository Index
47,133 repositories indexed
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NumPy & SciPy for GPU
- cuda
- cudnn
- cublas
- cusolver
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
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
🔩 Like builtins, but boltons. 250+ constructs, recipes, and snippets which extend (and rely on nothing but) the Python standard library. Nothing like Michael Bolton.
- python
- utilities
- cache
- data-structures
Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)
- genetic-algorithm
- pso
- particle-swarm-optimization
- tsp
Distributed Evolutionary Algorithms in Python
Official git repository for Biopython (originally converted from CVS)
- python
- bioinformatics
- genomics
- biopython
A PyTorch Library for Accelerating 3D Deep Learning Research
- pytorch
- 3d-deep-learning
- neural-networks
- differentiable-rendering
Python framework for creating, editing, and running Noisy Intermediate-Scale Quantum (NISQ) circuits.
- nisq
- quantum-algorithms
- quantum-computing
- cirq
Official repository for the Boltz biomolecular interaction models
- binding-prediction
- drug-discovery
- protein-structure
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
3D visualization and mesh analysis for science and engineering
- vtk
- python
- visualization
- 3d
NSGA2, NSGA3, R-NSGA3, MOEAD, Genetic Algorithms (GA), Differential Evolution (DE), CMAES, PSO
- optimization
- multi-objective-optimization
- nsga2
- nsga3
POT : Python Optimal Transport
- optimal-transport
- numerical-optimization
- machine-learning
- emd
Adaptive Experimentation Platform
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
PyWavelets - Wavelet Transforms in Python
- wavelets
- wavelet-transform
- signal-processing
- image-processing
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
An implementation of chunked, compressed, N-dimensional arrays for Python.
- zarr
- ndimensional-arrays
- compressed
- python
Chai-1, SOTA model for biomolecular structure prediction