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Popular repositories Loading

  1. rdkit_blog rdkit_blog Public

    RDKit related blog posts, notebooks, and data.

    Jupyter Notebook 121 44

  2. RSC_OpenScience_Standardization_202104 RSC_OpenScience_Standardization_202104 Public

    Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series

    Jupyter Notebook 46 8

  3. yaehmop yaehmop Public

    Yet Another extended Hueckel Molecular Orbital Package

    C 20 16

  4. aisem23 aisem23 Public

    Repository for the SCS Spring School on Digital Chemistry

    Jupyter Notebook 20 5

  5. rdkit-blog-fastpages rdkit-blog-fastpages Public

    Jupyter Notebook 19 7

  6. AIDD_RDKit_Tutorial_2021 AIDD_RDKit_Tutorial_2021 Public

    Materials from the Intro to the RDKit tutorial at AIDD 2021

    Jupyter Notebook 18 6