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DrAdrianDC/README.md

👋 Hi, I’m Adrian Dominguez-Castro, Ph.D.

Principal Data Scientist | Machine Learning Researcher | AI for Science

I am a Principal Data Scientist | Machine Learning Researcher specializing in bridging the gap between fundamental science and real-world applications. With a Ph.D. in Physics and a background in Computational Chemistry, and Machine Learning, I focus on building scalable discovery systems through advanced RAG architectures, AI Agents (using LangGraph), and automated pipelines for high-dimensional scientific data.

🚀 Current Focus: AI for Science

Through my independent practice, ADC Scientific Consulting, I architect end-to-end AI solutions for research organizations.

Selected Engagement: Decimal.health — Venture Studio (AccelerOnc Studio, Moffitt Cancer Center):

  • Architected RAG Search Systems to optimize discovery in clinical and scientific datasets, focusing on high-dimensional data retrieval.
  • Engineered Robust Data Pipelines that ensure data integrity for LLM-based discovery in complex medical and scientific domains.
  • Developed Agentic Workflows using LangGraph to automate high-fidelity data ingestion and scientific discovery processes.

🎓 Background

  • Postdoctoral Research Scientist | Vanderbilt University, USA.
  • Ph.D. in Physics (Dr. rer. nat.) | University of Bremen, Germany.
  • B.Sc. in Radiochemistry | InSTEC, University of Havana, Cuba.

📬 Connect with me

⚡ Fun fact: Having grown up in Cuba, I have never danced salsa.

Skills

Machine Learning Deep Learning LLMs RAG LangGraph LangChain PyTorch TensorFlow Keras Scikit-learn

Linux and HPC Quantum Chemistry Computational Chemistry Statistical Analysis & Data Modeling RDKit

Python C++ Docker Pandas NumPy SciPy Seaborn Matplotlib Plotly Streamlit Marker

Pinned Loading

  1. DFT-and-ML DFT-and-ML Public

    Density Functional Theory (DFT) meets Machine Learning for a Computational Materials Science project. This work is published in the journal Theoretical Chemistry Accounts.

    Jupyter Notebook 5 1

  2. Portfolio-Machine_Learning Portfolio-Machine_Learning Public

    This repository contains a collection of end-to-end machine learning and data science projects I have worked on

    Jupyter Notebook 4 1

  3. Python-Programming Python-Programming Public

    A collection of scripts and projects showcasing essential Python programming concepts and applications.

    Python 1 1

  4. dr-adriandc.github.io dr-adriandc.github.io Public

    This repository contains the source files for my personal website, hosted with GitHub Pages.

  5. RAG_pipelines RAG_pipelines Public

    Production-ready data ingestion pipelines for RAG systems. Web scraping, PDF extraction, delta processing. Transforming raw sources into vector-database-ready JSONL for RAG.

    Python 1