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BioinfoMachineLearning

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  1. bio-diffusion bio-diffusion Public

    A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization (Nature CommsChem)

    Python 187 26

  2. PoseBench PoseBench Public

    Comprehensive benchmarking of protein-ligand structure prediction methods (ICML 2024 AI4Science)

    Jupyter Notebook 114 3

  3. cryoppp cryoppp Public

    The programs of creating cryo-EM particle picking datasets

    Python 69 5

  4. FlowDock FlowDock Public

    Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction (CASP16)

    Python 68 7

  5. DeepInteract DeepInteract Public

    A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)

    Python 63 11

  6. DIPS-Plus DIPS-Plus Public

    The Enhanced Database of Interacting Protein Structures for Interface Prediction

    Python 48 8

Repositories

Showing 10 of 38 repositories
  • PoseBench Public

    Comprehensive benchmarking of protein-ligand structure prediction methods (ICML 2024 AI4Science)

    BioinfoMachineLearning/PoseBench’s past year of commit activity
    Jupyter Notebook 114 MIT 3 0 0 Updated Jan 26, 2025
  • MULTICOM_ligand Public

    Comprehensive ensembling of protein-ligand structure and affinity prediction methods (CASP16)

    BioinfoMachineLearning/MULTICOM_ligand’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Jan 26, 2025
  • FlowDock Public

    Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction (CASP16)

    BioinfoMachineLearning/FlowDock’s past year of commit activity
    Python 68 MIT 7 1 0 Updated Jan 24, 2025
  • hicdiff Public

    Diffusion models for denoising Hi-C chromosome conformation capturing data

    BioinfoMachineLearning/hicdiff’s past year of commit activity
    Python 3 MIT 0 2 0 Updated Jan 21, 2025
  • TransFew Public

    Transformer for protein function prediction (version 2)

    BioinfoMachineLearning/TransFew’s past year of commit activity
    Jupyter Notebook 11 MIT 0 1 0 Updated Dec 20, 2024
  • MULTICOM4 Public

    The MULTICOM4 protein structure prediction system developed by the Bioinformatics and Machine Learning Lab at the University of Missouri - Columbia

    BioinfoMachineLearning/MULTICOM4’s past year of commit activity
    Python 4 1 0 0 Updated Dec 18, 2024
  • GRNformer Public

    Transformer models for predicting gene regulatory networks from omics data

    BioinfoMachineLearning/GRNformer’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Dec 4, 2024
  • GCDM-SBDD Public

    A geometry-complete diffusion generative model (GCDM) for structure-based drug design (Nature CommsChem)

    BioinfoMachineLearning/GCDM-SBDD’s past year of commit activity
    Python 10 MIT 2 0 0 Updated Nov 6, 2024
  • cryo2struct Public

    The programs for preprocessing cryo-EM density maps for machine learning

    BioinfoMachineLearning/cryo2struct’s past year of commit activity
    Python 24 MIT 1 0 0 Updated Oct 1, 2024
  • bio-diffusion Public

    A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization (Nature CommsChem)

    BioinfoMachineLearning/bio-diffusion’s past year of commit activity
    Python 187 26 1 0 Updated Sep 7, 2024
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