What are the best Quantum Chemistry repositories on GitHub?

The top-ranked Quantum Chemistry open source repositories include Quantum-Accelerators/quacc, PennyLaneAI/pennylane, cp2k/cp2k, tracked and evaluated by community adoption, stars, and code commits.

How do I find trending Quantum Chemistry open source tools?

Browse this curated Quantum Chemistry directory to monitor real-time GitHub star velocity, latest code releases, and rising developer tools updated daily.

Are Quantum Chemistry GitHub repositories free and open source?

Most Quantum Chemistry projects listed here are distributed under open source licenses (such as MIT, Apache 2.0, or GPL). Always check individual project repositories for exact license terms.

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Quantum Chemistry GitHub Repositories (2026) · Open Source Tools

Discover the best Quantum Chemistry open source repositories on GitHub. Explore trending tools, live star counts, source code, and developer projects updated daily.

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6 matching projects · updated Nov 13, 2026 How we rank ↗

#1 TRENDING Quantum-Accelerators/quacc Python 2021

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

◇ chemistry ◇ computational-materials-science ◇ database ◇ dft

80 ↑ +3 today

303

#2 TRENDING PennyLaneAI/pennylane Python 2018

PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.

◇ autograd ◇ automatic-differentiation ◇ cirq ◇ deep-learning

879 ↑ +2 today

3.5K