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6 followers · 8 following
  • University of Bologna
  • Bologna, BO, IT

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gturtu21/README.md

  • 👋 Hi, I’m @gturtu21

  • 👀 I’m interested in computational chemistry with main focus on molecular dynamics and coarse grain models.

  • 📫 How to reach me giorgio.turtu@gmail.com

  • 🔬 Currently Working On

    • Learning equivariant neural networks (e3nn)

    • Implementing message passing for atomistic graphs

    • Building toy ML potentials from scratch

    • Reproducing papers like NequIP / Allegro / MACE

Pinned Loading

  1. fastapi-ecommerce-mvp fastapi-ecommerce-mvp Public

    RESTful FastAPI backend with PostgreSQL and JWT authentication, Dockerized

    Python

  2. sql_tutorial sql_tutorial Public

    Jupyter Notebook

  3. Amber16 Amber16 Public

    Dockerfile

  4. molden_container molden_container Public

    Dockerfile