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Popular repositories

  1. ARA2B_antagonists_molecular_library ARA2B_antagonists_molecular_library Public archive

    Cheminformatics achieved SMILES-based fragments filter, scaffold-fragments linkers & molecules filter for construction of the molecular library of Adenosine Receptor(AR) A2b antagonists.

    Jupyter Notebook 3

  2. A2BAR_Antagonists_Design A2BAR_Antagonists_Design Public

    The repository is the achieve of toolbox for the protocal to design, screening and clustering the virtual library of A2BAR antagonists.

    Jupyter Notebook

  3. posebusters_denovo_bulk posebusters_denovo_bulk Public

    Forked from maabuu/posebusters

    Plausibility checks for generated molecule poses.

    Python