Comparing methods for identifying drug-like molecules
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License: MIT License
Comparing methods for identifying drug-like molecules
License: MIT License
hi, Patwalters,
Thank you very much for providing such a good notebook.
but while i run the reos = uru.REOS(),
C:\CADD\anaconda3\envs\my-rdkit-env\lib\urllib\request.py in do_open(self, http_class, req, **http_conn_args)
1350 encode_chunked=req.has_header('Transfer-encoding'))
1351 except OSError as err: # timeout error
-> 1352 raise URLError(err)
1353 r = h.getresponse()
1354 except:
URLError: <urlopen error [Errno 11004] getaddrinfo failed>
so I looked at the roes.py and found
url = 'https://raw.githubusercontent.com/PatWalters/rd_filters/master/rd_filters/data/alert_collection.csv'
that seems that i cannot access the file direct through http way.
however, I download the file alert_collection.csv from github, and change the code
url = 'alert_collection.csv'
This doesn't seem to work for me
Can you provide alternative way or code to be able to read the alert_collection.csv file locally and initiate the roes script?
many thanks,
yours
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