Preparing Molecules for DD- error running download_zinc15.py

[inquisithustler]

Facing this error while preparing molecules for DD:
D2-master/pd_python/download_zinc15.py", line 13, in
t_pos = int(io_args.t_pos)
ValueError: __invalid literal for int() with base 10: 'num_cpus'__

What values should I change? @vibudh2209 @fgentile89

[inquisithustler]

@vibudh2209 @fgentile89 could you please help me out resolve the above mentioned query?

[vibudh2209]

What parameter are you passing for -tp parameter? Should be an integer less than equal to the available processor count.
You can get max processor count by:
import multiprocessing
print(multiprocessing.cpu_count())

[inquisithustler]

I have set following parameters:
parser.add_argument('-sfp','--/DD_protocol-main/smiles_DD_test',help='smiles_DD_test',required=True)
parser.add_argument('-fn','--morgan_library',help='morgan_library',required=True)
parser.add_argument('-tp','--tot_process',help='19',required=True)

Now, I also face following error:
error: the following arguments are required: -sfp/--/DD_protocol-main/smiles_DD_test, -fn/--morgan_library

I am new to python and beginning to understand the process. Kindly help me with it @vibudh2209

[vibudh2209]

You need to input the parameters which are required True, I am not sure which file you are running but its asking you to input those two parameters, since those are compulsory arguments for that file to run.

[inquisithustler]

Okay thanks. So I checked multiprocessing count and I replaced that number at help=20 but still I am getting the same error.
I did something like this:
parser.add_argument('-tp','--tot_process',help='20',required=True)

error:line 25, in
t_pos = int(io_args.tot_process)
ValueError: invalid literal for int() with base 10: 'num_cpus'

[vibudh2209]

You are not suppose to change the code, you need to provide the parameters from terminal like:
python download_zinc15.py -tp 20 -fn ….
Do not modify help, that wont change anything

[inquisithustler]

Thanks a lot it works now

[inquisithustler]

Morgan fingerprints are not getting placed in the morgan_library folder.
This is what I have been doing:
python morgan_fp.py --smile_folder_path /home/jrf/DD_test/smiles_library --folder_name path_morgan_library/morgan_library --tot_process 3
This the output that I get in the terminal itself: 0.00559687614440918

morgan_library folder remains empty. @vibudh2209