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Popular repositories Loading

  1. Cheminformatics-Docking Cheminformatics-Docking Public

    This repository is dedicated to the exploration of the field of cheminformatics, molecular docking, and virtual screening.

    Jupyter Notebook

  2. AMBER-Tutorials AMBER-Tutorials Public

    This is the collection of AMBER tutorial - most of them taken from its official website - I just included couple of useful lines which will help you run complete DNA simulation with AMBER.

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    GNN, GCN, Molecular Solubility, RDKit, Cheminformatics

    Jupyter Notebook

  4. awesome-cheminformatics awesome-cheminformatics Public

    Forked from Taylor-C-Powell/awesome-cheminformatics

    A curated list of Cheminformatics libraries and software.

  5. awesome-python-chemistry awesome-python-chemistry Public

    Forked from lmmentel/awesome-python-chemistry

    A curated list of Python packages related to chemistry