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pyphystuff/README.md

Sinkler Tormet-Gonzalez, PhD

Physicist | Computational Chemist | Data Scientist


🧬 About Me

I am a Ph.D. in Theoretical Chemistry from the University of Campinas (UNICAMP) with a strong background in Computational Physics. My expertise lies at the intersection of molecular simulations, high-performance computing, and machine learning applied to biological systems.

I specialize in decoding the complexity of enzymatic systems (Glycosyl Hydrolases) through Molecular Dynamics (MD), free energy landscapes, and network analysis. Currently, I am bridging the gap between theoretical chemistry and industry by applying Machine Learning to pharmaceutical formulation and excipient intelligence.


πŸ› οΈ Technical Stack

Category Technologies
Programming Python (Expert), Bash, Julia, R, C
Data Science Pandas, NumPy, Scikit-learn, TensorFlow, PyTorch, Keras
Simulation & HPC AMBER, NAMD, CUDA, SLURM
Cheminformatics RDKit, VMD, PyMOL
DevOps & Tools Git, Docker, Linux (Ubuntu/CentOS), LaTeX

πŸš€ Key Focus Areas

  • Pharmaceutical Intelligence: Building predictive models for drug-excipient compatibility and formulation optimization.
  • Enzyme Engineering: Using MD simulations to study denaturation, binding interactions, and catalytic mechanisms.
  • HPC Optimization: Implementing GPU-accelerated workflows and parallel computing for large-scale molecular systems.
  • Sports Analytics: Applying data science to Baseball metrics (Sabermetrics).

πŸ“Š GitHub Stats

GitHub Stats Top Languages

⚑ Fun Facts & Interests

  • πŸƒ Amateur Runner: Consistently hitting 5km and 10km goals.
  • ⚾ Baseball Enthusiast: Sabermetrics fan. Proud supporter of Tiburones de La Guaira 🦈 and Pittsburgh Pirates πŸ΄β€β˜ οΈ.
  • 🎨 Creative Side: I enjoy drawing as a way to balance my analytical work.

"Using physics and data to solve complex molecular puzzles."

Pinned Loading

  1. Coursera_Capstone Coursera_Capstone Public

    Jupyter Notebook

  2. stock_info stock_info Public

    IBM web scrapping course

    Jupyter Notebook

  3. amino-acids_data amino-acids_data Public

    A script to obtain basic data about aminoacids

    Python

  4. pdb_insight pdb_insight Public

    Python 1

  5. NN_python NN_python Public

    Repository with general Neural Networks using python

    Python