jvalegre / robert

Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Chemistry studies with only one command line.
MIT License
33 stars 5 forks source link

Make the grid of results #3

Closed jvalegre closed 1 year ago

jvalegre commented 2 years ago
  1. Make the code as a script and make it modular so people can call it through command line and jupyter notebooks
  2. Show grid with the comparison of all models