The trained models can be found in "model" folder.
conda env create -f ai4chem.yml
To view all configurations, run the following command:
python main_iflp.py --help
python main_iflp.py mode=predictive
python main_iflp.py mode=ft_predictive paths.model_path=[pretrained_model_path]
python eval_iflp.py --p [pretrained_model_path] --i [input_file_path] --t FEPA FEHA
python utilis/model_analysis.py --d [pretrained_model_path] --t FEPA FEHA