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@BrooksResearchGroup-UM

Brooks Group at the University of Michigan

This site represents software projects developed within and distributed by the research group of Charles L. Brooks III at the University of Michigan.

Popular repositories Loading

  1. pyCHARMM-Workshop pyCHARMM-Workshop Public

    pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24.

    Jupyter Notebook 67 10

  2. FastMBAR FastMBAR Public

    A fast solver for large scale MBAR/UWHAM equations

    Python 38 8

  3. PEVAE_Paper PEVAE_Paper Public

    Deciphering protein evolution and fitness landscapes with latent space models

    Python 32 2

  4. FASTDock FASTDock Public

    FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook

    Rich Text Format 18 1

  5. DirectCouplingAnalysis_PottsModel_Tensorflow DirectCouplingAnalysis_PottsModel_Tensorflow Public

    A Tensorflow implementation of Direct Coupling Analysis using Potts model

    Python 10 2

  6. MSLD-Workshop MSLD-Workshop Public

    Materials for five day workshop on using MSLD (including ALF and MSLD_py_prep) for drug discovery and protein engineering

    Rich Text Format 8 5

Repositories

Showing 10 of 17 repositories
  • crimm Public
    Rich Text Format 5 GPL-3.0 1 7 1 Updated Mar 20, 2025
  • latent_space_paper Public
    Jupyter Notebook 0 0 0 0 Updated Jan 31, 2025
  • pyCHARMM-Workshop Public

    pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24.

    Jupyter Notebook 67 MIT 10 3 0 Updated Jan 20, 2025
  • pyCHARMM-CHARMM-GPU-Benchmarks Public

    This repository provides the latest benchmarks for the CHARMM/pyCHARMM program on GPUs

    Rich Text Format 2 0 0 0 Updated Jan 6, 2025
  • seq_struct_func Public

    Example scripts for navigating protein sequence structure function space.

    Jupyter Notebook 3 MIT 0 0 0 Updated Sep 19, 2024
  • anc_acyl Public
    ReScript 1 0 0 0 Updated Sep 11, 2024
  • FastMBAR Public

    A fast solver for large scale MBAR/UWHAM equations

    Python 38 MIT 8 0 1 Updated Sep 4, 2024
  • Ancestral_AT_paper Public
    Jupyter Notebook 0 0 0 0 Updated Jun 27, 2024
  • MSLD-Workshop Public

    Materials for five day workshop on using MSLD (including ALF and MSLD_py_prep) for drug discovery and protein engineering

    Rich Text Format 8 MIT 5 1 0 Updated Aug 7, 2023
  • BLaDE Public

    BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics on graphical processor units.

    Shell 0 GPL-3.0 0 0 0 Updated Jul 28, 2023
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