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Appears in 4 awesome lists
Open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives, enabling quantum algorithm development for quantum chemistry, materials science, and optimization research (IBM, 7.4K+ stars, Apache 2.0)
Section: Specialized Frameworks · Open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives, enabling quantum algorithm development for quantum chemistry, materials science, and optimization research (IBM, 7.4K+ stars, Apache 2.0)
Section: Scientific Computing · Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.
Section: Quantum Computing · Qiskit is an open-source SDK for working with quantum computers at the level of circuits, algorithms, and application modules.
Section: Quantum Computing · An IBM-backed quantum SDK for building, simulating, and running circuits on real quantum hardware.
Modern, comprehensive probabilistic programming framework in Python. Bayesian modeling with advanced MCMC sampling, variational inference, and seamless integration with ArviZ for visualization. Apache 2.0 licensed.
Graph neural network library for PyTorch enabling molecular modeling, materials discovery, protein interaction networks, and scientific knowledge graph learning (23.7k+ stars)
Evolutionary computation framework (Genetic Algorithm, Evolution strategies). evol - DSL for composable evolutionary algorithms, talk. platypus - Multiobjective optimization. autograd - Efficiently computes derivatives of numpy code. nevergrad - Derivation-free optimization. gplearn - Sklearn-like…
Python package that lets you download spatial geometries and construct, project, visualize, and analyze street networks from OpenStreetMap's APIs.
Deep Graph Library for scalable deep learning on graphs, powering molecular modeling, materials discovery, protein interaction networks, and scientific knowledge graph learning across PyTorch, TensorFlow, and MXNet backends (14K+ stars)
Core library for astronomy and astrophysics in Python. Comprehensive tools for celestial coordinates, FITS I/O, cosmological calculations, and data analysis for professional astronomy. BSD-3-Clause licensed.
A python framework for creating, editing, and invoking Noisy Intermediate Scale Quantum (NISQ) circuits.
Freely available tools for biological computing in Python, with included cookbook, packaging and thorough documentation. Part of the Open Bioinformatics Foundation. Contains the very useful Entrez package for API access to the NCBI databases. [ paper-2009 | web ]