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@hnlab

Niu Huang's Lab

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  1. BindingNet BindingNet Public

    Jupyter Notebook 24 2

  2. can-ai-do can-ai-do Public

    Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets

    UnrealScript 12 3

  3. generalization_benchmark generalization_benchmark Public

    Jupyter Notebook 9

  4. benchmark_DOCK_Vina benchmark_DOCK_Vina Public

    Jupyter Notebook 2

  5. flexible-docking flexible-docking Public

    GLSL 1

  6. fpdb fpdb Public

    fetch PDB database information

    Python 1

Repositories

Showing 10 of 28 repositories
  • db2_converter Public
    Python 0 0 0 0 Updated Mar 12, 2025
  • PDBBind-Opt Public Forked from THGLab/HiQBind

    Workflow to clean up and fix structural problems in protein-ligand binding datasets

    Jupyter Notebook 0 6 0 0 Updated Nov 5, 2024
  • BindingNet Public
    Jupyter Notebook 24 MIT 2 0 0 Updated Jul 3, 2024
  • MetalDock Public Forked from MatthijsHak/MetalDock

    Dock organometallic compounds to proteins/DNA/biomolecules

    Python 0 MIT 6 0 0 Updated May 24, 2024
  • TorsionNet Public Forked from pfizer-opensource/TorsionNet

    A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM

    Jupyter Notebook 0 MIT 17 0 0 Updated Mar 29, 2024
  • pydock3 Public Forked from docking-org/pydock3

    Python package wrapping the DOCK Fortran program and providing several tools built on top of it.

    Fortran 0 3 1 0 Updated Mar 6, 2024
  • FAST Public Forked from LLNL/FAST

    Fusion models for Atomic and molecular STructures (FAST)

    Python 0 MIT 30 0 0 Updated Oct 12, 2023
  • Amber_beginning Public
    Python 0 MIT 0 0 0 Updated May 17, 2023
  • generalization_benchmark Public
    Jupyter Notebook 9 MIT 0 1 0 Updated Nov 30, 2022
  • benchmark_DOCK_Vina Public
    Jupyter Notebook 2 0 0 0 Updated Jul 7, 2022
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