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wdarocha/README.md

Hi, I'm Wagner da Rocha 👋

🔬 Postdoctoral researcher at IMECC / UNICAMP, working on distance geometry, molecular structure reconstruction, and scientific computing.

Research interests 📚

  • Distance geometry
  • Molecular distance geometry problems
  • Protein structure determination
  • Algorithms for inverse problems
  • Scientific software and computational experiments

Selected repositories 💻

  • bpbm-3d-iddgp
    C implementation of BP-based methods for the 3D interval discretizable distance geometry problem.

  • pdb-parser
    Python toolkit for processing PDB structures and generating distance-geometry instances.

  • benchmarks
    Benchmark and experiment data associated with my research repositories.

Links 🔗

Popular repositories Loading

  1. dg-thesis-code dg-thesis-code Public

    Historical MATLAB thesis code for distance geometry and protein structure reconstruction.

    MATLAB

  2. wdarocha.github.io wdarocha.github.io Public template

    Personal webpage hosted with GitHub Pages.

    HTML

  3. benchmarks benchmarks Public

    Centralized collection of benchmarks, experiments, and testing results.

  4. pdb-parser pdb-parser Public

    pdb-parser is a lightweight Python toolkit for processing NMR Protein Data Bank (PDB) structures and generating distance and torsion-angle constraints for Distance Geometry Problem (DGP) workflows.…

    Python

  5. wdarocha wdarocha Public

    Config file for my GitHub profile.

  6. bpbm-3d-iddgp bpbm-3d-iddgp Public

    C implementation of interval Branch-and-Prune methods for the 3D interval discretizable distance geometry problem, with applications to molecular structure reconstruction.

    C