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  • Imperial College London

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  1. SMORES SMORES Public

    Calculation of electric-field-based steric (Sterimol) parameters.

    Python 4 1

  2. tanimoto_extraction tanimoto_extraction Public

    Simple extraction of a subset of molecules using Tanimoto similarity metric

    Python 2

  3. lukasturcani/stk lukasturcani/stk Public

    A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

    Python 252 48

  4. JelfsMaterialsGroup/stko JelfsMaterialsGroup/stko Public

    A collection of molecular optimisers and property calculators for use with stk.

    Python 23 8

  5. ImperialCollegeLondon/webBO ImperialCollegeLondon/webBO Public

    HTML 6 5

  6. 2024-BO-summer-school 2024-BO-summer-school Public

    Jupyter Notebook 5