/gen_model

Primary LanguageJupyter NotebookMIT LicenseMIT

Generative model for material property prediction

About

  • Codes are related to an article: A Generative Model for Extrapolation Prediction in Materials Informatics
  • https://arxiv.org/abs/2103.00157
  • Predict versatile molecular properties using a generative model
  • The model is robust against missing data, which will be imputed by the model.
  • Better performances are obtained with extrapolating tasks than conventional models.

Some codes adopted from...