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Popular repositories Loading

  1. DENOPTIM DENOPTIM Public

    Forked from denoptim-project/DENOPTIM

    DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.

    Java

  2. RuC_BondLength RuC_BondLength Public

    Data and tools used in the design of Ru-catalysts for olefin metathesis.

    HTML

  3. chem_tutorial chem_tutorial Public

    Forked from PatWalters/chem_tutorial

    Jupyter Notebook

  4. ChemOS ChemOS Public

    Forked from aspuru-guzik-group/ChemOS

    Python

  5. dmol-book dmol-book Public

    Forked from whitead/dmol-book

    Deep learning for molecules and materials book

    Jupyter Notebook

  6. Reinvent Reinvent Public

    Forked from MolecularAI/Reinvent

    Python