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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 ...
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This is a list of free and open-source software (FOSS) 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]
Free 3D visualization and communication software for integrated, multi-disciplinary geoscience and mining data and models, which also connects to Python through geoh5py, its open-source API Mira Geoscience Ltd. Free / Proprietary Microsoft Windows: C++: Free license key is automatically emailed upon request, and the software is permanently free
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Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods .
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