mlp4green

1. How to train your model:

1.1.1 prepare yout datasets like our datasets, you can clean data as follow:

python data_clean.py

1.1.2 run models comparing and train predictor:

python main.py

2. How to predict the green odor of molecules:

python predictor.py -i example.smi -o result.csv

you can also go to webserver for a prediction at https://hwwlab.com/webserver/mlp4green