A fragment-based molecular generation method used GA.
The method could preform multi-objective optimization.
generate_frag_lib.py: Decomposing the real molecules into fragments.
prediction_model.py: Training the odor prediction model.
mol_generator_random.py: Generating new molecules by choosing fragments randomly.
mol_generator_ga.py: Generating new molecules by GA.
Put the prediction model in ./model, and data in ./data.