MD17 download fails with HTTP 404 error for aspirin.npz

[SongXia-NYU]

When running the preprocessing script for the MD17 dataset, the script fails to download the dataset file for the molecule "aspirin". It results in an HTTP 404 error, indicating the file is no longer available at the specified URL.

Steps to reproduce:

Run the script with the following command:

python preprocessing/md17.py --molecule aspirin --data_path DATAPATH --db_path DBPATH

Console output:

process MD17 molecule: aspirin. 
Traceback (most recent call last): 
  ...
  File ".../MDsim/preprocessing/md17.py", line 35, in download
    request.urlretrieve(url, os.path.join(data_path, datasets_dict[molecule])) 
  ...
urllib.error.HTTPError: HTTP Error 404: Not Found