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Achievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx2

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@equipe-customizacao-tese-lncc @EveryBlockStudio @nb2i @verao-lncc @gmmsb-lncc

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mpds/README.md

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Hi there! 👋

I’m Matheus Müller, and here’s a snapshot of my current work and research:

  • 🧪 Researching AI and machine learning applications in drug discovery and bioinformatics.
  • 🎓 PhD candidate at LNCC/MCTI 🇧🇷.
  • 💻 Data Scientist at InsilicAll.
  • 📰 My publications.

Below are some of the projects I’ve been involved with. Feel free to check them out.

Scientific projects:

  • See pinned repositories.

Web projects:

Pinned Loading

  1. gmmsb-lncc/docktgrid Public

    Generate customized voxel representations of protein-ligand complexes using GPU.

    Python 9 2

  2. gmmsb-lncc/generative-optim Public

    Multi- and many-objective optimization in generative chemistry model latent spaces.

    Python 3

  3. gmmsb-lncc/docktprep Public

    Create DockThor input files from PDB, mmCIF and MOL2 formats. Prepare and fix common issues in the PDB files.

    Python

  4. denv-scripts Public

    DOI: 10.1128/Spectrum.00256-21

    Jupyter Notebook

  5. Represent molecules with voxel grids
    1 
    {
    2 
      "nbformat": 4,
    3 
      "nbformat_minor": 0,
    4 
      "metadata": {
    5 
        "colab": {

851 contributions in the last year

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Activity overview

Contributed to gmmsb-lncc/docktprep, gmmsb-lncc/emmsb-recursos, mpds/mpds and 9 other repositories
Loading A graph representing mpds's contributions from April 07, 2024 to April 12, 2025. The contributions are 91% commits, 8% pull requests, 1% issues, 0% code review.

Contribution activity

April 2025

6 contributions in private repositories Apr 7 – Apr 11
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