PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.
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Updated
May 23, 2024 - Python
PennyLane is a cross-platform Python library for quantum computing, quantum machine learning, and quantum chemistry. Train a quantum computer the same way as a neural network.
Introductions to key concepts in quantum programming, as well as tutorials and implementations from cutting-edge quantum computing research.
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
A distributed compute and database platform for quantum chemistry.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Directory of Fortran codes on GitHub, arranged by topic
Quantum espresso dependancy files for parallel computation.
Quantum chemistry and solid state physics software package
Qibochem is a plugin to Qibo for quantum chemistry simulations.
An open source Python package for molecular and condensed matter VQE research
Nix expressions for HPC/Quantum chemistry software packages
Methods for calculating transport through magnetic molecules / spin impurities
Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.
Python tools for automating routine tasks encountered when running quantum chemistry computations.
A curated list of Python packages related to chemistry
The Swiss Army Knife of Applied Quantum Technology
automatic construction of young tableaus and conversion into hamiltonian and spin functions
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