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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 181 24

  2. PoseBench PoseBench Public

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

    Jupyter Notebook 91 3

  3. cryoppp cryoppp Public

    The programs of creating cryo-EM particle picking datasets

    Python 65 5

  4. DeepInteract DeepInteract Public

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

    Python 63 11

  5. DIPS-Plus DIPS-Plus Public

    The Enhanced Database of Interacting Protein Structures for Interface Prediction

    Python 48 8

  6. GCPNet GCPNet Public

    A PyTorch implementation of Geometry-Complete SE(3)-Equivariant Perceptron Networks (GCPNets)

    Python 40 4

Repositories

Showing 10 of 34 repositories
  • PoseBench Public

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

    BioinfoMachineLearning/PoseBench’s past year of commit activity
    Jupyter Notebook 91 MIT 3 0 0 Updated Nov 29, 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 8 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 181 24 0 0 Updated Sep 7, 2024
  • HiCEGNN Public

    A transformer method of reconstructing 3D structures of genomes and chromosomes from Hi-C data

    BioinfoMachineLearning/HiCEGNN’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Sep 6, 2024
  • hicdiff Public

    Diffusion models for denoising Hi-C chromosome conformation capturing data

    BioinfoMachineLearning/hicdiff’s past year of commit activity
    Python 2 MIT 0 1 0 Updated Jul 5, 2024
  • BioinfoMachineLearning/mintomics’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Jul 2, 2024
  • tulip Public

    Template-based modeling for accurate prediction of ligand-protein complex structures (TULIP)

    BioinfoMachineLearning/tulip’s past year of commit activity
    Python 0 1 0 0 Updated Jun 5, 2024
  • TransFew Public

    Transformer for protein function prediction (version 2)

    BioinfoMachineLearning/TransFew’s past year of commit activity
    Jupyter Notebook 10 MIT 0 1 0 Updated Jun 2, 2024
  • JCVIDB Public

    A data repository for JCVI minimum cells

    BioinfoMachineLearning/JCVIDB’s past year of commit activity
    JavaScript 0 GPL-3.0 0 0 0 Updated May 31, 2024

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