Supporting information for the article "When yield prediction does not yield prediction: an overview of the current challenges".
Contains:
- extracted datasets, including Reaxys ReactionID
- scripts for plots generation
- training scripts for simple models
- modified scripts for BERT-Yield from https://github.com/rxn4chemistry/rxn_yields (to run then, the Yield-BERT envinroment from there is necessary)