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arnaou/README.md

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Hi there 👋

I'm a postodctoral researcher at the section of Autonomous Materials Discovery (AMD) at the Department of Energy Conversion and Storage at the Technical University of Denmark (DTU) 🏫. My main research areas are developping computational tools (mechanistic and data driven) for applications within process systems engineering, applied thermodynamics and molecular/material design 🔎. I love to explore new technologies and leverage them to solve real-life problems ✨. Apart from that I also love to supervise and mentor students👨🏻‍💻.

Technology Stack 💾

Python Docker Git GitHub GitLab PyTorch Julia Fortran

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    The Dig4Bio worskhop series

    Jupyter Notebook 3

  2. fair_gc fair_gc Public

    A repository for "Fairer Benchmark of Group Contribution and Machine Learning Models for Property Prediction: A New Data Splitting Strategy"

    Python 1

  3. gsi-lab/GC-GNN gsi-lab/GC-GNN Public

    repository for Group-contribution based Graph neural Networks

    Python 18 2