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Achievements

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.

Projects

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

Open-source python packages:

  • docktgrid: Generate customized voxel representations of protein-ligand complexes using GPU.
  • docktprep: A tool for preparing molecular structures for docking experiments with DockThor.

Web projects:

Pinned Loading

  1. gmmsb-lncc/docktgrid gmmsb-lncc/docktgrid Public

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

    Python 10 2

  2. gmmsb-lncc/generative-optim gmmsb-lncc/generative-optim Public

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

    Python 3

  3. gmmsb-lncc/docktprep gmmsb-lncc/docktprep Public

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

    Python 1