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@SmartChemDesign

SmartChemDesign

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  1. gminorgDB gminorgDB Public

    Database of small organic molecules in the global minimum conformation

    Python 6 1

  2. HERDB HERDB Public

    2

  3. gcnn_mol_transfer gcnn_mol_transfer Public

    Python 2

  4. matgen matgen Public

    Forked from scidatasoft/matgen

    The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision support at a pre-synthetic stage. Though, the existing metho…

    Python

  5. TPE_func TPE_func Public

    Python

  6. PyRad PyRad Public

    Python

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