Created
March 19, 2022 08:22
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Save iwatobipen/1ffa9b2a13b70cf3f424e7dd9af68a90 to your computer and use it in GitHub Desktop.
Another alternative is to update the FTP link in wget download to the following:
! wget https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_30/chembl_30_monomer_library.xml
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You can replace
with the following code using
chembl-downloader
to make this notebook automatically download the latest ChEMBL data (or pin withversion="30"
:This has the added benefit that anyone can re-run your notebook without messing around with
wget
and making sure the file paths are all correct. I demonstrated this works on my fork of this gist at https://gist.github.com/cthoyt/a48376238cabf1d368401550f5f3e5ee.