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PKIDB: Fetch latest SDF file #14

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dominiquesydow opened this issue Jun 14, 2021 · 0 comments

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dominiquesydow commented Jun 14, 2021

Currently, we read the PKIDB data from a copy of the PKIDB SDF file that is saved to this repository:

kissim_app/src/data/ligands.py

Lines 13 to 14 in dc35360

    
           DATA_PATH = Path(__file__).parent / "../../data/external/ligands" 
        
           PKIDB_PATH = DATA_PATH / "PKIDB/pkidb_2021-04-19.sdf"

Proposed change: Fetch latest file from PKIDB website directly.
Challenge: File names contain date tag. How to fetch correct future URL?
- Example: https://www.icoa.fr/pkidb/static/download/pkidb_2021-05-20.sdf

dominiquesydow added the enhancement label

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