C++ Chemistry

Open-source C++ projects categorized as Chemistry
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Topics: C++ computational-chemistry OpenGL Scientific Computing Python
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Top 3 C++ Chemistry Projects

  • openbabel

    Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

  • psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

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  • avogadrolibs

    Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).

C++ Chemistry related posts

  • Cheaper/free alternatives to ChemDraw?

    1 project | /r/OrganicChemistry | 18 Feb 2023

  • Nicely typeset chemical SMILES

    1 project | /r/LaTeX | 18 Jan 2023

  • Upgrading to Psi4 1.6 error

    1 project | /r/comp_chem | 17 Jun 2022

  • Psi4: Open-Source Quantum Chemistry

    1 project | news.ycombinator.com | 28 Jun 2021

Index

What are some of the best open-source Chemistry projects in C++? This list will help you:

Project Stars
1 openbabel 998
2 psi4 924
3 avogadrolibs 409

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