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  2. Chemistry Development Kit - Wikipedia

    en.wikipedia.org/wiki/Chemistry_Development_Kit

    The Chemistry Development Kit (CDK) is computer software, a library in the programming language Java, for chemoinformatics and bioinformatics. [4] [5] It is available for Windows, Linux, Unix, and macOS. It is free and open-source software distributed under the GNU Lesser General Public License (LGPL) 2.0.

  3. Ghemical - Wikipedia

    en.wikipedia.org/wiki/Ghemical

    Ghemical is a computational chemistry software package written in C++ and released under the GNU General Public License. [2] The program has graphical user interface based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools.

  4. Open Babel - Wikipedia

    en.wikipedia.org/wiki/Open_Babel

    Open Babel is a free chemical informatics software designed to facilitate the conversion of Chemical file formats and manage molecular data. [3] It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides both a comprehensive library and command-line ...

  5. List of educational software - Wikipedia

    en.wikipedia.org/wiki/List_of_educational_software

    Download QR code; Print/export ... NASA World Wind - free software ... Mario Teaches Typing; Smorball; Tux Typing - free software ; Visual Learning and Mind Mapping

  6. GAMESS (US) - Wikipedia

    en.wikipedia.org/wiki/GAMESS_(US)

    The GAMESS (US) software also provides a comprehensive bonding analysis technique based on the Quasi-Atomic Orbital (QUAO) analysis proposed by professor Klaus Ruedenberg. The QUAO analysis provides a quasi-atomical perspective of bonding molecular orbitals in molecules. These are oriented orbitals which show the bonding direction.

  7. List of free and open-source software packages - Wikipedia

    en.wikipedia.org/wiki/List_of_free_and_open...

    This is a list of free and open-source software packages (), computer software licensed under free software licenses and open-source licenses.Software that fits the Free Software Definition may be more appropriately called free software; the GNU project in particular objects to their works being referred to as open-source. [1]

  8. List of cheminformatics toolkits - Wikipedia

    en.wikipedia.org/wiki/List_of_Cheminformatics...

    Cheminformatics toolkits are notable software development kits that allow cheminformaticians to develop custom computer applications for use in virtual screening, chemical database mining, and structure-activity studies. [1] [2] Toolkits are often used for experimentation with new methodologies. Their most important functions deal with the ...

  9. NWChem - Wikipedia

    en.wikipedia.org/wiki/NWChem

    Download QR code; Print/export ... NWChem is an ab initio computational chemistry software package which includes quantum chemical ... a free and open source software ...