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Implement DeepSynergy and EPGCN-DS models #27

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merged 12 commits into from
Jan 14, 2022
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benedekrozemberczki
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@benedekrozemberczki benedekrozemberczki commented Jan 13, 2022

Summary

  • Adds a basic example and updates the docstrings for DeepSynergy.

  • Adds EPGCNDS, tests, and examples.

  • Code passes all tests

  • Unit tests provided for these changes

  • Documentation and docstrings added for these changes

Changes

  • Examples folder with DeepSynergy and EPGCN-DS (only uses sum-based operator for now).
  • New docstrings in the documentation.

@benedekrozemberczki benedekrozemberczki changed the title Deepsynergy Example in Readme and Dosctrings DeepSynergy and EPGCN DS Jan 13, 2022
@benedekrozemberczki benedekrozemberczki changed the title DeepSynergy and EPGCN DS DeepSynergy and EPGCN-DS Jan 13, 2022
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codecov-commenter commented Jan 13, 2022

Codecov Report

Merging #27 (4a1d701) into main (c6e2f04) will increase coverage by 0.00%.
The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##             main      #27   +/-   ##
=======================================
  Coverage   99.81%   99.82%           
=======================================
  Files          29       29           
  Lines         549      578   +29     
=======================================
+ Hits          548      577   +29     
  Misses          1        1           
Impacted Files Coverage Δ
chemicalx/models/deepsynergy.py 100.00% <ø> (ø)
chemicalx/models/epgcnds.py 100.00% <100.00%> (ø)
tests/unit/test_models.py 100.00% <100.00%> (ø)

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@benedekrozemberczki benedekrozemberczki merged commit 732660a into main Jan 14, 2022
@benedekrozemberczki benedekrozemberczki linked an issue Jan 14, 2022 that may be closed by this pull request
@benedekrozemberczki benedekrozemberczki deleted the deepsynergy branch January 14, 2022 11:00
@cthoyt cthoyt added the model label Feb 1, 2022
@cthoyt cthoyt changed the title DeepSynergy and EPGCN-DS Implement DeepSynergy and EPGCN-DS models Feb 1, 2022
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Add the EPGCNDS model
3 participants