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New shared functionality for sample filtering & property extraction - #16

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sfluegel05 merged 13 commits into
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feature/property-extraction
Jul 22, 2026
Merged

New shared functionality for sample filtering & property extraction#16
sfluegel05 merged 13 commits into
devfrom
feature/property-extraction

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This covers some ChEBI processing functionality from https://github.com/ChEB-AI/chebILP that is also useful for other repositories.

Changes:

  • "val" is now "validation" - this is a breaking change (!)
  • sample filters to get neighbors / closest negatives for a target class
  • property extraction for molecules

@sfluegel05
sfluegel05 merged commit f7a65d1 into dev Jul 22, 2026
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@sfluegel05
sfluegel05 deleted the feature/property-extraction branch July 22, 2026 15:48
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