To run first create a conf.yaml file that can be executed by the repo. To run a script that creates an example configuration execute:
$ python create_config_examples/create_config_RL1_QSAR.py
Then you just execute the input.py script and point it to the configuration file
$ python python input.py --run_config ~/REINVENT_RL_QSAR_demo/RL_QSAR_input.json
Logs with be created in the logging_path. If a wandb account key is added to wandb_key, data will be logged to wandb as well.