chembl-downloader
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20 hours ago •
cthoyt
cthoyt
Write reproducible code for getting and processing ChEMBL
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- What other operations do people commonly want to do with the entire ChEMBL database/SDF file that would be good to wrap (including loading other files released by ChEMBL)? -...
@egonw are there any bulk SMILES, InChI, or SDF loading operations in bacting that are exposed by pybacting that would be nice to wrap inside this library for full loading...