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Code to build a probabilistic predictive model for HSP

Gaussian Processes Hansen Solubility Parameters (gpHSP)

Code repo for gpHSP

Want to predict a probabilisitc model for solublity? Have low amounts of data?

.. then maybe gpHSP is the right tool for you.

Todo

  • [ ] Make end-to-end example.
  • [ ] Make cheaper alternative models (e.g. smiles to HSP).
  • [ ] Release gpmol dependency.