Skip to content
@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 205 27

  2. PoseBench PoseBench Public

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

    Jupyter Notebook 158 5

  3. FlowDock FlowDock Public

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

    Python 93 14

  4. cryoppp cryoppp Public

    The programs of creating cryo-EM particle picking datasets

    Python 73 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 49 8

Repositories

Showing 10 of 45 repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…