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  1. barnaba_pseudotor barnaba_pseudotor Public

    Addition of pseudotorsion caclulation eta, theta, eta', and theta' to barnaba package (https://github.com/srnas/barnaba)

    Jupyter Notebook 1

  2. RDKit_Notebooks_MK RDKit_Notebooks_MK Public

    This Repository contains collection of useful RDKit operations from RDKit UGM material as well as different online resources.

    Jupyter Notebook