Search Results for "quantum python" - Page 2
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Showing 104 open source projects for "quantum python"
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Avogadro 2
Avogadro libraries provide 3D rendering, visualization, and analysis
AvogadroLibs is the core C++ library behind Avogadro 2, an open-source molecular editor and visualization platform used in chemistry, materials science, and education. It provides the essential tools for constructing, analyzing, and visualizing molecular structures in 2D and 3D. Designed for extensibility, AvogadroLibs supports plugins for quantum chemistry computations, molecular mechanics, and surface rendering. It interfaces with multiple chemistry formats and data sources, making it a... -
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Braket.jl
Experimental Julia implementation of the Amazon Braket SDK
Braket.jl is not an officially supported AWS product. This package is a Julia implementation of the Amazon Braket SDK allowing customers to access Quantum Hardware and Simulators. This is experimental software, and support may be discontinued in the future. For a fully supported SDK, please use the Python SDK. We may change, remove, or deprecate parts of the API when making new releases. Please review the CHANGELOG for information about changes in each release. -
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Quantum Information Toolkit is a comprehensive, easy-to-use interactive numerical toolkit for quantum information and computing, available for both MATLAB and Python.
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. -
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ML Retreat
Machine Learning Journal for Intermediate to Advanced Topics
ML Retreat is an open-source learning repository that serves as a structured journal documenting advanced topics in machine learning and artificial intelligence. The project compiles detailed notes, technical explanations, and curated resources that guide readers through complex concepts across modern AI research. Rather than functioning as a traditional tutorial series, the repository is organized as a learning journey that progressively explores increasingly advanced subjects. Topics... -
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FairChem
FAIR Chemistry's library of machine learning methods for chemistry
FAIRChem is a unified library for machine learning in chemistry and materials, consolidating data, pretrained models, demos, and application code into a single, versioned toolkit. Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations,... -
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QuForge-Industrial-Studio
Professional 10-qubit Quantum EDA platform for hardware-aware circuit
QuForge Industrial Studio is a comprehensive Quantum Electronic Design Automation (EDA) suite designed to bridge the gap between theoretical quantum algorithms and physical hardware constraints. While most simulators focus on pure mathematical states, QuForge introduces Hardware-Aware Design, allowing users to simulate their logic on a virtual 10-qubit processor ring.The tool provides a high-fidelity environment where users can account for real-world physical limitations such as $T_1$... -
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OpenQASM
Quantum assembly language for extended quantum circuits
OpenQASM is an imperative programming language designed for near-term quantum computing algorithms and applications. Quantum programs are described using the measurement-based quantum circuit model with support for classical feed-forward flow control based on measurement outcomes. OpenQASM presents a parameterized set of physical logic gates and concurrent real-time classical computations. Its main goal is to serve as an intermediate representation for higher-level compilers to communicate... -
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Plum Cave Twofish
A version of Plum Cave that uses the ChaCha20 and Twofish ciphers
A version of Plum Cave that employs the "ChaCha20 + Twofish-256 CBC + HMAC-SHA3-512" authenticated encryption scheme for data encryption and ML-KEM-1024 for quantum-resistant key exchange. -
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Plum Cave
A cloud backup solution that employs advanced cryptography
A cloud backup solution that employs the "ChaCha20 + Serpent-256 CBC + HMAC-SHA3-512" authenticated encryption scheme for data encryption and ML-KEM-1024 for quantum-resistant key exchange. Check it out at https://plum-cave.netlify.app/ GitHub page: https://github.com/Northstrix/plum-cave -
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PQS
Petoron Quantum Standard (PQS)
Petoron Quantum Standard (PQS) v1.2 A fully custom, offline encryption standard - built entirely from scratch. PQS v1.2 is a minimalistic, self-contained encryption engine for secure file protection, with zero reliance on external cryptographic libraries. PBKDF2-HMAC-SHA256 (200k iterations, adjustable) for password hardening. Key separation via BLAKE2s - independent keys for encryption and MAC. -
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QMCF2
Quantum Mechanical Charge Field - Molecular Dynamics
QMCF2 is a molecular-simulation package for molecular dynamics, Monte Carlo, geometry optimization, molecular mechanics, and combined quantum-mechanical/molecular-mechanical calculations. The source includes force-field, electrostatics, constraints, thermostats, pressure control, water models, QMCF/QM-MM, external-QM interfaces, conversion tools, and analysis utilities. Interfaces are available for xTB, DFTB+, Gaussian, Turbomole, CRYSTAL, and ASE-based workflows. External programs must... -
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libACE
Analytic Gaussian integral kernels using the ACE algorithm.
libACE is a source generator and validation toolkit for analytic Gaussian integral kernels. It generates selected C++ feature libraries and can assemble a combined user-facing distribution with a stable C/C++ ABI. Accompanying coordinate expansion (ACE) is a computational method in quantum chemistry designed for the rapid evaluation of electron repulsion integrals (ERIs) over Gaussian-type orbitals. Developed by K. Ishida and later extended by Masao Hayami, Junji Seino, and Hiromi... -
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Chemical Trajectory Analyzer
A software package for processing and analyzing chemical trajectories
ChemTraYzer creates reaction models from molecular dynamics simulations. It's available as open software (MIT license). Please find a full description @ https://www.ltt.rwth-aachen.de/cms/LTT/Forschung/Forschung-am-LTT/Model-Based-Fuel-Design/Aktuelle-Projekte/~kqbf/ChemTraYzer/lidx/1 M.Döntgen, M.-D.Przybylski-Freund, L.C.Kröger, W.A.Kopp, A.E.Ismail, K.Leonhard, "Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics... -
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BioXTAS RAW
Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
BioXTAS RAW is a program for analysis of Small-Angle X-ray Scattering (SAXS) data. The software enables: creation of 1D scattering profiles from 2D detector images, standard data operations such as averaging and subtraction, analysis of radius of gyration (Rg) and molecular weight, and advanced analysis using GNOM and DAMMIF as well as electron density reconstructions using DENSS. It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis... -
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TorchQuantum
A PyTorch-based framework for Quantum Classical Simulation
A PyTorch-based framework for Quantum Classical Simulation, Quantum Machine Learning, Quantum Neural Networks, Parameterized Quantum Circuits with support for easy deployments on real quantum computers. Researchers on quantum algorithm design, parameterized quantum circuit training, quantum optimal control, quantum machine learning, and quantum neural networks. Dynamic computation graph, automatic gradient computation, fast GPU support, batch model terrorized processing. -
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DeepChem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
DeepChem aims to provide a high-quality open-source toolchain that democratizes the use of deep learning in drug discovery, materials science, quantum chemistry, and biology. DeepChem currently supports Python 3.7 through 3.9 and requires these packages on any condition. DeepChem has a number of "soft" requirements. If you face some errors like ImportError: This class requires XXXX, you may need to install some packages. Deepchem provides support for TensorFlow, PyTorch, JAX and each requires an individual pip Installation. ... -
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staq
Full-stack quantum processing toolkit
staq is a modern C++ library for the synthesis, transformation, optimization and compilation of quantum circuits. staq is written in standard C++17 and has very low external dependencies. It is usable either through the provided binary tools, or as a header-only library that can be included to provide direct support for parsing & manipulating circuits written in the OpenQASM circuit description language. Inspired by Clang, staq is designed to manipulate OpenQASM syntax trees directly, rather... -
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NKTgLaw
Core library & API for the NKTg Law (Nguyen Khanh Tung). Includes core
Core library & API for the NKTg Law (Nguyen Khanh Tung). Includes core implementation, REST/gRPC API, and 150+ client wrappers -
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cosmic-dynamics-system
Programming Cosmic Dynamics A Practical Guide in 11 Popular Languages
NKTg Ground Vehicle A real-time robot vehicle controlled entirely by NKTg (mass-kinetic energy function) — physical sensors feed actual x, v, m, dm/dt data into the NKTg engine running at 100 Hz on an ESP32, which issues motor commands in real time. What This Is This is a hardware implementation of NKTg control theory — not a simulation, not a demo. The vehicle collects live sensor data, computes NKTg_1 and NKTg_2 on-chip, and drives motors accordingly — all without a host computer once... -
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ALAMODE
Ab initio simulator for thermal transport and lattice anharmonicity
ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation :... -
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Paddle Quantum
Paddle Quantum
Paddle Quantum (量桨) is the world's first cloud-integrated quantum machine learning platform based on Baidu PaddlePaddle. It supports the building and training of quantum neural networks, making PaddlePaddle the first deep-learning framework in China. Paddle Quantum is feature-rich and easy to use. It provides comprehensive API documentation and tutorials help users get started right away. Paddle Quantum aims at establishing a bridge between artificial intelligence (AI) and quantum computing... -
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Argo
ARGO is a program for analysis of electronic structure calculations
The `Argo' program draws its name from ancient Greek, referencing the vessel of the same name commissioned for Jason's renowned Argonauts expedition. This choice symbolizes the pursuit of making the best use of quantum chemical calculation results. ARGO facilitates the analysis of results obtained from quantum chemistry codes, specifically Gaussian. This task is achieved through a set of Python scripts. Our code is freely available throughout the academic community with the ambition to be used, to be supplemented by others, and become an indispensable tool for optimum utilization of quantum chemical calculation results. -
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Amazon Braket Strawberry Fields Plugin
An open source framework for using Amazon Braket devices
An open-source framework for using Amazon Braket devices with the Strawberry Fields photonic device programming library. This plugin provides a BraketEngine class for running photonic quantum circuits created in Strawberry Fields on the Amazon Braket service. The Amazon Braket Python SDK is an open source library that provides a framework to interact with quantum computing hardware devices and simulators through Amazon Braket. This plugin provides the classes BraketEngine for submitting photonic circuits to Amazon Braket and BraketJob for tracking the status of the Braket task. ... -
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WaveTrain (Python)
Quantum dynamics of chain-like systems using tensor train formats
WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only (with or without periodic boundary conditions). This Python package is centered around tensor train (TT, or matrix product) representations of quantum-mechanical Hamiltonian operators and (stationary or time-evolving) state vectors. WaveTrain builds on the Python tensor train toolbox scikit_tt, which provides efficient construction methods, storage schemes, as well as solvers for eigenvalue problems and linear differential equations in the TT format. ...
