Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
Repository Index
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A Python implementation of global optimization with gaussian processes.
- optimization
- gaussian-processes
- bayesian-optimization
- python
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
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
A PyTorch Library for Accelerating 3D Deep Learning Research
- pytorch
- 3d-deep-learning
- neural-networks
- differentiable-rendering
Official repository for the Boltz biomolecular interaction models
- binding-prediction
- drug-discovery
- protein-structure
3D visualization and mesh analysis for science and engineering
- vtk
- python
- visualization
- 3d
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.
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
Optax is a gradient processing and optimization library for JAX.
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
Unknown Horizons official code repository
- game
- python
- strategy
- simulation
MLBox is a powerful Automated Machine Learning python library.
- machine-learning
- auto-ml
- kaggle
- deep-learning
A research toolkit for particle swarm optimization in Python
- particle-swarm-optimization
- optimization-tools
- pso
- global-optimization
Python+Numpy+OpenGL: fast, scalable and beautiful scientific visualization
A generalized framework for prototyping full-stack cooperative driving automation applications under CARLA+SUMO.
- autonomous-driving
- cooperative-driving-automation
- simulation
- connected-and-automated-vehicles
[CONTRIBUTORS WELCOME] Generalized Additive Models in Python
Pythonic tool for orchestrating machine-learning/high performance/quantum-computing workflows in heterogeneous compute environments.
- hpc
- workflow
- workflow-automation
- workflow-management
OpenMDAO repository.
- nasa
- open-source
- framework
- openmdao
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
- deep-learning
- pytorch
- deep-chemistry
- graph-neural-network
A Python package to visualise neuroanatomical data in atlas space
- neuroscience
- python
- anatomy
- visualization
Interactive network visualization in Python and Dash, powered by Cytoscape.js
- plotly-dash
- plotly
- dash
- cytoscape
A Free and Open Source Python Library for Multiobjective Optimization
- optimization
- multiobjective
- evolutionary
- algorithm