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KingaMas/README.md

👋 Hi, I'm Kinga

🎓 PhD Researcher in Machine Learning for Materials Discovery · Imperial College London

💡 Passionate about open, reproducible science and the development of machine-learning models that accelerate materials discovery


🧠 Research Focus

My research interests include:

  • 🧩 Generative models for inorganic solids
  • ⚛️ Geometric graph neural networks
  • 🔋 Quantitative evaluation of generative models
  • 📊 Open and reproducible software for atomistic machine learning

🧰 Tools & Frameworks

Machine Learning: PyTorch · Lightning · PyTorch Geometric · scikit-learn
Atomistic Modelling: ASE · MACE · Pymatgen · Materials Project API
Automation & HPC: Snakemake · Hydra · SLURM · W&B
Software Engineering: Git · GitHub Actions · pytest · Docker · Poetry
Reproducibility: Zenodo · Sphinx · Jupyter


🌐 Links

ORCID Google Scholar LinkedIn Zenodo


💬 Open to Collaboration

Outside research, I enjoy science communication and collaborative software projects that bring transparency to data-driven materials design

🤝 Open to collaborations on generative modelling, dataset curation, and reproducibility in materials informatics

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  1. WMD-group/SMACT WMD-group/SMACT Public

    Python package to aid materials design and informatics

    Python 128 28