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Quantum chemistry

Libraries that connect quantum computing workflows to chemistry, electronic structure, and molecular modeling.

Quantum chemistry category illustration

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8

Projects currently grouped into this category.

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1

Higher-signal entries worth opening first.

Featured in this category

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OpenFermion illustration
quantumlib

OpenFermion

Python package for compiling and analyzing quantum algorithms to simulate electronic structures.

PythonApache-2.0Flagship

1,697 stars · Updated 3mo ago

All resources

Browse everything grouped under quantum chemistry.

ProjectQ-Framework

FermiLib

FermiLib: Open source software for analyzing fermionic quantum simulation algorithms

PythonApache-2.0

90 stars · Updated 8y ago

cda-tum

mqt-dasqa

MQT DASQA - Designer for Superconducting Quantum Architectures

PythonMIT

21 stars · Updated 1y ago

quantumlib

OpenFermion

Python package for compiling and analyzing quantum algorithms to simulate electronic structures.

PythonApache-2.0Flagship

1,697 stars · Updated 3mo ago

Qiskit

qiskit-nature

Qiskit Nature is an open-source, quantum computing, framework for solving quantum mechanical natural science problems.

PythonApache-2.0

385 stars · Updated 3mo ago

eclipse-qrisp

Qrisp

Qrisp - The next generation of quantum algorithm development

PythonEPL-2.0

267 stars · Updated 3mo ago

weinbe58

QuSpin

A python wrapper for doing ED calculations on many-body systems

PythonBSD-3-Clause

30 stars · Updated 3y ago

aspuru-guzik-group

tequila

A High-Level Abstraction Framework for Quantum Algorithms

PythonMITFlagship

428 stars · Updated 3mo ago

ornl-qci

xacc-vqe

DEPRECATED - Variational quantum eigensolver built on XACC

C++BSD-3-Clause

14 stars · Updated 7y ago