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SDF-based dataset support - #32

Merged

sfluegel05 merged 27 commits into

devfrom

feature/sdf-support

May 5, 2026

Commits on Feb 25, 2026
- add option for passing mol object, gentle error handling
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  5576839
- update reader for mol objects
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  95adba2
- fix read property
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  ad4432f
- make read_properties more flexible, don't recalculate properties
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  66c9659
- avoid redundant property calculation
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  be7278d
- fix function call
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  a50ce8f
- catch mol processing errors
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  b629f9c
- make sure that property cache is mutable
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  430c72c
Commits on Feb 28, 2026
- fix data loading
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  2b9c1e5
- add chebi25 dataset
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  3a53cd2
- use chebi-utils
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  db3d429
Commits on Mar 1, 2026
- fix function name
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  e5d870b
Commits on Mar 2, 2026
- fix function name
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  315f49c
- fix import
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  de3193e
- add new tokens
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  ea77f36
- catch none
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  354225b
- Merge branch 'feature/sdf-support' of https://github.com/ChEB-AI/python-chebai-graph into feature/sdf-support
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  e78183e
- fix assertion error
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  d2bbad5
- only calculate entended molecule graph if needed, sanitize molecule with custom method in fg rules
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  0ba4f11
- update default values in configs
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  6a85dd2
- reformat w/ ruff
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  578c2ef
Commits on Mar 6, 2026
- update fg tokens
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  4abdcf3
- property failure handling
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  885a405
- assert idents match property values
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  7f6cb23
- format
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  d2522f7
- use ruff for precommit
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  4b8124b
- ruff format
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  9ba3db5