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Popular repositories

  1. Deep-SMILES Deep-SMILES Public

    Deep learning in chemistry

    Jupyter Notebook 7 2

  2. Docking-scoring Docking-scoring Public

    Molecular docking scoring

    Python 3 2

  3. PK_predict PK_predict Public

    Predict small molecules's clearance, half-life, distribution of volume and mean residence time.

    Python 2 3

  4. coreRMSD coreRMSD Public

    Alignment of molecules share a same fragment and calculate the RMSD

    Python 2 1

  5. AutoRR AutoRR Public

    Chemical fragment attach for lead optimization

    Python 1 3

  6. AdvancedDatabase AdvancedDatabase Public

    Database study

    Java 1