AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
https://chemicalx.readthedocs.io
Apache License 2.0
700 stars 89 forks source link

MHCADDI model #74

Closed sebastiandro closed 2 years ago

sebastiandro commented 2 years ago

Closes #13

Summary

Please provide a high-level summary of the changes for the changes and notes for the reviewers

Changes

! This is a draft, the model still need a bit of refactoring, documentation etc

benedekrozemberczki commented 2 years ago

@sebastiandro I will look into the segmentation indices.

codecov-commenter commented 2 years ago

Codecov Report

Merging #74 (54143d4) into main (7cb1533) will increase coverage by 0.63%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main      #74      +/-   ##
==========================================
+ Coverage   95.11%   95.75%   +0.63%     
==========================================
  Files          30       32       +2     
  Lines        1188     1366     +178     
==========================================
+ Hits         1130     1308     +178     
  Misses         58       58              
Impacted Files Coverage Δ
chemicalx/models/mhcaddi.py 100.00% <100.00%> (ø)
chemicalx/utils.py 100.00% <100.00%> (ø)
tests/unit/test_models.py 100.00% <100.00%> (ø)
tests/unit/test_utils.py 100.00% <100.00%> (ø)

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benedekrozemberczki commented 2 years ago

Will not merge without a complete rewrite of the variable names and docstrings.

cthoyt commented 2 years ago

After that's all done I'll take a other pass at review

benedekrozemberczki commented 2 years ago

@cthoyt Simplified it massively.

benedekrozemberczki commented 2 years ago

@cthoyt can I merge this?