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@molecularmodelinglab

Molecular Modeling Lab

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  1. plantain plantain Public

    Fast and accurate molecular docking with an AI pose scoring function

    Python 37 2

  2. bigbind bigbind Public

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

    Python 17 2

  3. PhaKinPro PhaKinPro Public

    Pharmacokinetic property prediction with QSAR modeling

    CSS 6 2

  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 1

  6. HIDDEN-GEM HIDDEN-GEM Public

    Python 2 1

Repositories

Showing 10 of 21 repositories
  • banana Public

    BANANA (BAsic NeurAl Network for binding Affinity)

    molecularmodelinglab/banana’s past year of commit activity
    Python 4 MIT 2 0 0 Updated Jul 8, 2024
  • pancreatic_cancer_mixture_modeling Public
    molecularmodelinglab/pancreatic_cancer_mixture_modeling’s past year of commit activity
    Python 0 0 0 0 Updated May 31, 2024
  • PhaKinPro Public

    Pharmacokinetic property prediction with QSAR modeling

    molecularmodelinglab/PhaKinPro’s past year of commit activity
    CSS 6 MIT 2 3 0 Updated May 29, 2024
  • bigbind Public

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

    molecularmodelinglab/bigbind’s past year of commit activity
    Python 17 MIT 2 1 0 Updated Apr 26, 2024
  • molecularmodelinglab.github.io Public

    Lab Website

    molecularmodelinglab/molecularmodelinglab.github.io’s past year of commit activity
    SCSS 1 BSD-3-Clause 2 0 0 Updated Apr 8, 2024
  • simsearchserver Public
    molecularmodelinglab/simsearchserver’s past year of commit activity
    Rust 1 1 7 0 Updated Mar 27, 2024
  • plantain Public

    Fast and accurate molecular docking with an AI pose scoring function

    molecularmodelinglab/plantain’s past year of commit activity
    Python 37 MIT 2 2 0 Updated Feb 8, 2024
  • simsearchserver-develop Public Forked from molecularmodelinglab/simsearchserver

    Josh and James get under paid

    molecularmodelinglab/simsearchserver-develop’s past year of commit activity
    Rust 0 1 0 0 Updated Jan 22, 2024
  • plate-ppv Public
    molecularmodelinglab/plate-ppv’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Dec 7, 2023
  • implicit_solvent Public

    Using OpenMM to test how well AMBER + implicit solvent can re-rank docked poses

    molecularmodelinglab/implicit_solvent’s past year of commit activity
    Jupyter Notebook 1 1 0 0 Updated Dec 1, 2023
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