Created by
Alex de Sá
last modified
| import argparse
import requests
import sys
URL = "https://biosig.lab.uq.edu.au/toxcsm/api/predict"
def main(args):
params = {
"email_address": args.email_address,
"pred_type": args.pred_type
}
smiles_to_submit = {"smiles_file": open(args.smiles_file,"r")}
req = requests.post(URL, data=params, files=smiles_to_submit)
print(req.json())
return True
if __name__ == "__main__":
parser = argparse.ArgumentParser(description='Job submission for a SMILES file\n')
parser.add_argument('--smiles_file', dest='smiles_file', type=str, help='SMILES file containing several molecules (at most, 1000 molecules).', required=False, default=None)
parser.add_argument('--pred_type', dest='pred_type', type=str, help='prediction mode: all (default), organic, environmental, human_dose_response, nuclear_response, stress_response', required=False, default="all")
parser.add_argument('--email_address', dest='email_address', type=str, help='E-mail address string', required=False, default="")
args = parser.parse_args()
if args.smiles_file == None:
print('usage: python toxcsm_api_smiles_file_post.py --smiles_file SMILES_FILE [--pred_type PREDICTION_TYPE] [--email_address YOUR_EMAIL]')
sys.exit(1)
main(args)
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