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INITIAL_REPORT.md

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Initial report - "Atom Representations Based On Attention" project

Team

  1. Adam Wieliczko
  2. Szymon Dziedzic
  3. Paweł Fornalik
  4. Jakub Szadkowski

GitHub repository for the project

This repository

Data sources

  1. human and rat data from this repository.
  2. qm9
  3. ESOL

Paper on which we will base our project

https://arxiv.org/pdf/2012.04444.pdf

Tools

  1. Python 3
  2. Graph neural networks
  3. PyTorch
  4. PyTorch Geometric
  5. GitHub

Problems we noticed

  1. Lack of knowledge about graph neural networks
  2. Lack of knowledge about chemistry/biology
  3. Lack of knowledge about attention pooling
  4. Lack of knowledge about PyTorch Geometric