DeepCCI removal and out channel parameters#43
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benedekrozemberczki merged 5 commits intomainfrom Jan 17, 2022
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@benedekrozemberczki flake8 got you! |
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I know. |
Codecov Report
@@ Coverage Diff @@
## main #43 +/- ##
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- Coverage 98.65% 98.64% -0.02%
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Files 28 27 -1
Lines 671 664 -7
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- Hits 662 655 -7
Misses 9 9
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cthoyt
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Jan 17, 2022
chemicalx/models/epgcnds.py
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| def __init__(self, *, in_channels: int, hidden_channels: int = 32, out_channels: int = 16): | ||
| def __init__( | ||
| self, *, in_channels: int, hidden_channels: int = 32, middle_channels: int = 16, out_channels: int = 1 |
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Consider adding a default value for in_channels?
In general I think it makes sense to always have reasonable defaults for all models (including DeepSynergy)
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Yes, why not!
cthoyt
approved these changes
Jan 17, 2022
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Summary
Removes the DeepCCI class.
Adds Out channels for DeepSynergy and EPGCN DS.
Moves EPGCN-DS to GraphConv layers.
Code passes all tests
Unit tests provided for these changes
Documentation and docstrings added for these changes