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v-in-cube/README.md

Hello, I'm Varvara Voinarovska, WASP postdoc at AstraZeneca and Chalmers!

In this account I mostly publish supporting repos for my research. (not so much because research is hard)
I was doing research around Yield prediction (turned out to be bad! we clearly lack good data for any general-purpose models).
Now my topics of interest are Human-in-the-Loop and LLMs for chemistry and how those two concepts interact!

Popular repositories Loading

  1. YieldnotYield YieldnotYield Public

    Supporting information for the "When yield prediction does not yield prediction: an overview of the current challenges"

    Jupyter Notebook 7 3

  2. HITLLLMs HITLLLMs Public

    Supporting code for "Do humans and large language models agree on the quality of synthesis plans?" paper

    Jupyter Notebook 2 2

  3. v-in-cube v-in-cube Public

    Config files for my GitHub profile.

  4. rxnfp rxnfp Public

    Forked from rxn4chemistry/rxnfp

    Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" …

    HTML

  5. retro_web retro_web Public

    Repo for chemists questionnaire and backup

    HTML