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atom2vec's Introduction

Hi there 👋

I am an EPSRC Doctoral Prize Fellow in the Walsh Materials Design group in the Department of Materials at Imperial College London

  • 🔭 I’m currently working on materials discovery research related to materials informatics and solid-state batteries
  • 🌱 I’m currently learning how to develop and deploy PyTorch models
  • 👯 I’m looking to collaborate on solid state electrolytes research and compositional materials discovery research related to our code SMACT
  • 📫 How to reach me: [email protected]
  • ⚡ Fun fact: I play lacrosse and do cosplay

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atom2vec's People

Contributors

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atom2vec's Issues

[Species2Vec] Self-similarities not being unity

In a small test of the SpeciesSimilarity class, I have found that for some species, the self-similarity is not close to 1.

We need to investigate if this still occurs with the entire dataset.

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