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cthoyt / chembl-downloader

Write reproducible code for getting and processing ChEMBL
https://chembl-downloader.readthedocs.io
MIT License
65 stars 11 forks source link

Add SQL for getting activities by target #8

Closed cthoyt closed 1 year ago

cthoyt commented 1 year ago

This PR adds some functionality for generating target-based datasets, motivated by https://github.com/PatWalters/yamc/issues/14.

See the notebook here (note that this is pinned with a permalink to the state after merging this PR).

codecov-commenter commented 1 year ago

Codecov Report

Merging #8 (14a86f8) into main (bbe029e) will decrease coverage by 3.92%. The diff coverage is 2.56%.

@@            Coverage Diff             @@
##             main       #8      +/-   ##
==========================================
- Coverage   29.01%   25.09%   -3.93%     
==========================================
  Files           5        6       +1     
  Lines         224      263      +39     
  Branches       54       61       +7     
==========================================
+ Hits           65       66       +1     
- Misses        156      194      +38     
  Partials        3        3
Impacted Files Coverage Δ
src/chembl_downloader/contrib.py 0.00% <0.00%> (ø)
src/chembl_downloader/queries.py 73.33% <50.00%> (-3.59%) :arrow_down:

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