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@BioinfoMachineLearning

BioinfoMachineLearning

Bioinformatics and Machine Learning (BML) Laboratory

Overview

The research in Dr. Jianlin (Jack) Cheng's BML lab at the University of Missouri-Columbia focuses on developing machine learning, deep learning, and artificial intelligence (AI) methods to analyze biological and medical data and address fundamental problems in biological and medical sciences. Currently, we are developing bioinformatics algorithms and tools for protein structure, interaction, and function prediction, protein and drug design, biological network modeling, and omics data analysis. Our research is funded by the National Institutes of Health (NIH), the National Science Foundation (NSF), the Department of Energy (DOE), and the US Department of Agriculture (USDA).

Our AI and bioinformatics tools, web services, and datasets are freely available. Our MULTICOM suite for the prediction of protein structure and structural features were ranked among the best methods in the last several community-wide biennial Critical Assessments of Techniques for Protein Structure Prediction (CASP7, 8, 9, 10, 11, 12, 13, 14, 15, and 16) in 2006, 2008, 2010, 2012, 2014, 2016, 2018, 2020, 2022, and 2024), respectively.

The citations to our research papers according to Google Scholar

Highlights

In 2024, during the latest CASP16 competition, our MULTICOM predictors were ranked among the top in five major categories: (a) protein complex structure prediction (no. 1 in Phase 0 prediction without stoichiometry information, (b) Phase 1 protein complex structure prediction with stoichiometry information (no. 3), (c) tertiary structure prediction (no. 2), (d) protein model accuracy estimation (no. 2 in global fold accuracy estimation and no. 1 in ranking homo-multimer structures), and (e) protein-ligand structure (pose) and binding affinity prediction (no. 5).

Popular repositories Loading

  1. bio-diffusion bio-diffusion Public

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

    Python 213 28

  2. PoseBench PoseBench Public

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

    Jupyter Notebook 166 6

  3. FlowDock FlowDock Public

    A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)

    Python 99 16

  4. cryoppp cryoppp Public

    The programs of creating cryo-EM particle picking datasets

    Python 76 5

  5. DeepInteract DeepInteract Public

    A geometric deep learning framework (Geometric Transformers) for predicting protein interface contacts. (ICLR 2022)

    Python 64 11

  6. DIPS-Plus DIPS-Plus Public

    The Enhanced Database of Interacting Protein Structures for Interface Prediction

    Python 50 8

Repositories

Showing 10 of 45 repositories
  • gate Public

    Graph transformer for estimating protein model accuracy

    BioinfoMachineLearning/gate’s past year of commit activity
    C 4 1 1 0 Updated Aug 19, 2025
  • FlowDock Public

    A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)

    BioinfoMachineLearning/FlowDock’s past year of commit activity
    Python 99 MIT 16 1 0 Updated Aug 14, 2025
  • PoseBench Public

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

    BioinfoMachineLearning/PoseBench’s past year of commit activity
    Jupyter Notebook 166 MIT 6 1 0 Updated Aug 11, 2025
  • PSBench Public

    A large and comprehensive benchmark for estimating the accuracy of protein complex structural models

    BioinfoMachineLearning/PSBench’s past year of commit activity
    C 0 MIT 0 0 0 Updated Jul 27, 2025
  • GRNformer Public

    Transformer models for predicting gene regulatory networks from omics data

    BioinfoMachineLearning/GRNformer’s past year of commit activity
    Python 8 MIT 1 0 0 Updated Jul 7, 2025
  • denoisecryodata Public

    The dataset for training machine learning methods to denoise cryo-EM density maps

    BioinfoMachineLearning/denoisecryodata’s past year of commit activity
    Python 2 MIT 0 1 0 Updated Jul 5, 2025
  • 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 8 3 0 0 Updated Jun 28, 2025
  • .github Public
    BioinfoMachineLearning/.github’s past year of commit activity
    0 0 0 0 Updated Jun 12, 2025
  • mintomics Public
    BioinfoMachineLearning/mintomics’s past year of commit activity
    Python 1 MIT 1 0 0 Updated Jun 2, 2025
  • 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 213 28 1 0 Updated May 30, 2025

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