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More gnn baselines + dataclass refactor - #38

Merged

aditya0by0 merged 38 commits into

devfrom

feature/baselines

Aug 5, 2026

Commits on Jul 16, 2026
- separate config folder for baselines
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  f48ce4f
- refine gine implementation
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  edd7c30
- gine base config
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  766e768
- move common data classes to base
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  9a4afc6
- create a separate aug base
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  3c89f87
- data classe for molecule net
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  5fad440
Commits on Jul 17, 2026
- add requirements txt file
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  49a9e8d
- fix data mol class
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  e82ec95
- wandb dep
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  971da2f
- missing dropout to config
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  e937089
- update to correct props numbers
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  6a5aec1
Commits on Jul 18, 2026
- remove redundant code for mol propertiess addition to final classification linear layers
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  6e50bb5
- Merge branch 'feature/baselines' of https://github.com/ChEB-AI/python-chebai-graph into feature/baselines
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  cb916b1
Commits on Jul 23, 2026
- refine gine implementation
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  38c25ee
- remove redudant pooling types
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  05e2679
- move pooling types to separate file
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  6bc6cf7
- dedicate dir to core architectures
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  e04bb43
- pooling naming consistency
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  542e55b
- amg pool rename
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  0622a68
- update configs
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  07a534e
- augmented config
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  f5af776
- config for final augmentation
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  53514a4
Commits on Jul 25, 2026
- update config
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  f10b7ab
- update with new fg
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  cce6c61
- update mol net classes
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  32b863a
- update mol net classes
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  9c4c5ef
Commits on Aug 1, 2026
- remove molecule attr from geom data
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  8f207cc
- modularize _merge_props_into_base of graph per node type class
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  e4a6f77
Commits on Aug 2, 2026
- ablation for properties
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  b5e84cd
- properties ablation config
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  842f7b7
- fix prop error
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  1da7014
- property zeros fix
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  e0b0ad7
- graph node properties need no masking
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  4623755
- configs for main augmentations
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  0d76f65
- configs for additional augs
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  14c7ee3
Commits on Aug 3, 2026
- fix assertion error
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  586baf0
Commits on Aug 5, 2026
- ablation properties variant: node prop only
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  6ce981e
- Merge branch 'dev' into feature/baselines
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  committed
  eef5ee6

Commits

Commits on Jul 16, 2026

Commits on Jul 17, 2026

Commits on Jul 18, 2026

Commits on Jul 23, 2026

Commits on Jul 25, 2026

Commits on Aug 1, 2026

Commits on Aug 2, 2026

Commits on Aug 3, 2026

Commits on Aug 5, 2026