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V2: fix some docstrings #654

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merged 7 commits into from Mar 2, 2024
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KnathanM
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As I've read through the code base, I've seen some parts of docstrings that looked incorrect. Some of these are more obvious than others. I've carefully reviewed these changes, but will appreciate another pair of eyes on it before we go to merge.

@kevingreenman kevingreenman added this to the v2.0.0 milestone Feb 23, 2024
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@hwpang hwpang left a comment

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Overall LGTM with some questions for my own information

chemprop/models/model.py Show resolved Hide resolved
@@ -47,15 +47,15 @@ def forward(self, H: Tensor, batch: Tensor) -> Tensor:
Parameters
----------
H : Tensor
A tensor of shape ``V x d`` containing the batched node-level representations of ``n``
A tensor of shape ``V x d`` containing the batched node-level representations of ``b``
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Did we define b anywhere?

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It is defined here in message_passing base.py. We could define b here and probably should, but at the same time we don't define what V and d are. Additionally there are many docstrings that use variables without defining them each time. I think it would be better to collect all the variable definitions into a single reference like what some textbooks do, but that is fairly big task.

chemprop/nn/message_passing/base.py Show resolved Hide resolved
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LGTM! will merge once the tests pass.

@hwpang hwpang merged commit a335a54 into chemprop:v2/dev Mar 2, 2024
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3 participants