Here is a list of new additions:
- ChemML models can now be saved and loaded (tutorial)
- The tensorflow.keras object can also be extracted from ChemML models for external use (tutorial)
- Transfer learning can now be implemented via the new TransferLearning module using
from chemml.models import TransferLearning - hyperparameter optimization using genetic algorithms can now be performed using the graphical user interface (GUI) as well (tutorial)
- There is a small change in the installation instructions to facilitate the use of the GUI (instructions)