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Remove Input Channel #11

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Remove Input Channel #11

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@aditya0by0 aditya0by0 commented May 28, 2025 •
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aditya0by0 added 24 commits May 7, 2025 16:18
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Create .gitignore
9150bb6
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update precommit + github action
06a71a6
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pre-commit format files
ff1adc9
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change graph from directed to UNDIRECTED
d7f30d3
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add test data
b8189d1
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edge_features should be calculated after undirected graph
ad301e6
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directed edge which form an un-dir edge should be adjancent
344d828
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add test for GraphPropertyReader
8a69828
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add gt test data for aspirin
e0064b8
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Update test_data.py
a9c7228
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add more graph test
0a9760d
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first src to tgt edges then tgt to src
1a8dcb6 
- instead of using adjacent directed edge, this one is better approach since we can stack edge attributes generated later without any further logic to rearrange edge_attr
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add test for duplicate directed edges
5d4c174
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restore import
945ef7c
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concat edge attr for undirected graph
53a240a
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concat prop values instead of edge_attr
b1f2da3
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Merge branch 'dev' into fix/directed-to-undirected-graph
3615fb1
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Merge branch 'dev' into fix/directed-to-undirected-graph
7a8b664
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inherit from ChebiOverX
53ca438 
instead of Base data module, as `load_processed_data_from_file` method used in this class is available in Dynamic dataset class
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nan_to_num numpy2.x compatibility
4319e47 
fix for #10
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add print statements
7c0a484
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remove print for dataloader phase
ffc0b75
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Update .gitignore
0a39749
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why input channels needed? when n_atom_properties is there
51e609e
@aditya0by0 aditya0by0 self-assigned this May 28, 2025
@aditya0by0 aditya0by0 requested a review from sfluegel05 May 28, 2025 18:57
@aditya0by0 aditya0by0 linked an issue May 28, 2025 that may be closed by this pull request
Clarify and Fix Usage of Input Channels in Convolution Layers #12
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@aditya0by0 aditya0by0 added the bug:fix fix for bug label Jun 5, 2025
@aditya0by0 aditya0by0 removed a link to an issue Jul 23, 2025
Clarify and Fix Usage of Input Channels in Convolution Layers #12
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closing the PR as the issue is addressed in dfdd810

@aditya0by0 aditya0by0 closed this Jul 23, 2025
@aditya0by0 aditya0by0 deleted the fix/resgated_input_channel branch July 23, 2025 21:50
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