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

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mpds/README.md

orcid researchgate LinkedIn lattes

Hi there! 👋

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

  • 🧪 My research interests focus on AI & ML for drug discovery and bioinformatics.
  • 🎓 Pursuing a PhD at LNCC/MCTI 🇧🇷.
  • 💻 Data Scientist at InsilicAll.
  • 📰 Check out my publications.

Pinned Loading

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

    Create 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. Item 1 - Perceptron Item 1 - Perceptron
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    import numpy as np
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    def generate_dataset(N: int, p1: list, p2: list, seed: int = 42):
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        """Generate a random dataset with size N from p1 and p2."""
  4. Represent molecules with voxel grids Represent molecules with voxel grids
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    {
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      "nbformat": 4,
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      "nbformat_minor": 0,
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      "metadata": {
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        "colab": {