Script for new predictions #1
Description
Hello! Thank you for sharing your work. 👍
I’d like to use your model for my own research, but I noticed that some scripts and checkpoints seem to be missing from the repository.
Would it be possible for you to share a script that loads the trained models (not only the SVM), generates features for new molecules, and predicts the solvation free energy of those systems? A *.yml-file containing the exact environment would be helpful too.