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@molecularmodelinglab

Molecular Modeling Lab

Popular repositories

  1. plantain plantain Public

    Fast and accurate molecular docking with an AI pose scoring function

    Python 34 2

  2. bigbind bigbind Public

    The BigBind protein-ligand binding dataset (and BayesBind benchmark)

    Python 15 2

  3. PhaKinPro PhaKinPro Public

    Pharmacokinetic property prediction with QSAR modeling

    CSS 5 1

  4. banana banana Public

    BANANA (BAsic NeurAl Network for binding Affinity)

    Python 4 2

  5. MODI MODI Public

    Calculate the modelability index (MODI) of a chemical dataset

    Python 2

  6. TrustButVerify_YourData TrustButVerify_YourData Public

    This repository is meant to hold an example of how one should properly curate their materials science data to

    Jupyter Notebook 1

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