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
Jun 12, 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.
Quantum chemistry and solid state physics software package
Nix expressions for HPC/Quantum chemistry software packages
Directory of Fortran codes on GitHub, arranged by topic
Fast and simple way to electronic structure methods.
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
Tools developed for running end-to-end chemistry workflows on quantum computers and simulators.
Open Computational Chemistry in C++
Python program for aggregation and reaction
Workflow for generate a database of proteins with quantum properties
Qibochem is a plugin to Qibo for quantum chemistry simulations.
Parsers and algorithms for computational chemistry logfiles
The Swiss Army Knife of Applied Quantum Technology
Introductions to key concepts in quantum programming, as well as tutorials and implementations from cutting-edge quantum computing research.
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University
The release-only repository of the subsystem focused quantum chemistry code Serenity
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
PyTorch Autodiff DFT-D4 Implementation.
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