Hi, I’m Nils Davoine – a doctoral researcher at the University of Luxembourg and a member of the TCP Group.
I specialize in Machine Learning applied to Molecular Simulations, working at the intersection of Artificial Intelligence, Theoretical Chemistry, and Biomedical Research.

🔬 Currently working on:

• Graph Neural Networks and Generative Models (GNNs, GANs) for molecule generation
• Building and managing data science projects with international partners

🌍 Passionate about translating data-driven insights into real-world biomedical applications and making science more open, reproducible, and impactful.

📫 Let’s connect on LinkedIn or check out my personal website

• 💻 Python, NumPy, Pandas, Scikit-learn, TensorFlow, PyTorch
• 📊 Data Analysis, Predictive Modeling, Credit Risk, Data Storytelling
• 🧬 Drug Discovery, Molecular Dynamics, Quantum Chemistry
• 🎯 Science Communication, Research Strategy, Team Collaboration

• 📈 Machine Learning for Chemical Properties (internship + collaboration context)
• 🧪 ML pipelines for molecular simulations and quantum chemistry datasets
• 🤝 Team leadership and mentoring in data science collaborations with 4+ contributors

• 💡 Teaching Python & Machine Learning to Master’s students
• 🗣️ Speaker at ML events
• 🎨 Passionate about blending science and data visualization

⭐ If you like what you see or have thoughts to share, feel free to reach out or star my repos.
Let’s build, explore and innovate together!