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.
↑ +1 today
Topic Catalog
Top CHEMISTRY GitHub Repositories & Tools (2026)
Discover the most starred and trending open source tools tagged with #chemistry.
SPONSORED BY
8 matching projects · updated Sep 28, 2026
How we rank ↗
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
↑ +1 today
Wolfram Language / Mathematica reimplementation in Rust (Wolfram oxidized)
↑ +1 today
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
↑ +1 today
mzmine source code repository
◇ computational-chemistry◇ computational-mass-spectrometry◇ gas-chromatography◇ liquid-chromatography
↑ +1 today
Protein and molecule viewer, editor, simulator
↑ +1 today
The Chemical Data Processing Toolkit
↑ +1 today
chemical graph theory library for JavaScript
↑ +1 today
From our network