AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
https://chemicalx.readthedocs.io
Apache License 2.0
715 stars 87 forks source link

Implement SSIDDI #77

Closed yuwvandy closed 2 years ago

yuwvandy commented 2 years ago

Closes #11

Summary

codecov-commenter commented 2 years ago

Codecov Report

Merging #77 (9460fd6) into main (424b440) will increase coverage by 0.70%. The diff coverage is 98.83%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main      #77      +/-   ##
==========================================
+ Coverage   94.41%   95.12%   +0.70%     
==========================================
  Files          29       30       +1     
  Lines         985     1189     +204     
==========================================
+ Hits          930     1131     +201     
- Misses         55       58       +3     
Impacted Files Coverage Δ
chemicalx/models/ssiddi.py 98.75% <98.73%> (-1.25%) :arrow_down:
tests/unit/test_models.py 100.00% <100.00%> (ø)
chemicalx/models/deepdds.py 97.43% <0.00%> (-2.57%) :arrow_down:
chemicalx/pipeline.py 87.67% <0.00%> (-0.91%) :arrow_down:
chemicalx/models/caster.py 100.00% <0.00%> (ø)
chemicalx/loss.py 100.00% <0.00%> (ø)

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benedekrozemberczki commented 2 years ago

@cthoyt and @YuWVandy Refactored this one, added tests, documentation etc.