Major refactor#118

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Commits on Apr 8, 2025

custom cif parsing

Ninjani
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OleinikovasV
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fix: max val and feat: save custom systems

Ninjani
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OleinikovasV
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skip nones

Ninjani
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OleinikovasV
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fix: allow custom scoring

Ninjani
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OleinikovasV
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chore: lint

Ninjani
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OleinikovasV
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chore: type

Ninjani
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OleinikovasV
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chore: type
OleinikovasV
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Commits on Apr 9, 2025

rm unused moad,papyrus + bump bindingDB release
OleinikovasV
committed

Commits on Feb 19, 2026

Commits on Feb 20, 2026

Commits on Feb 21, 2026

Commits on Mar 24, 2026

chore: bump python 3.10 -> 3.12
OleinikovasV
committed

Commits on Apr 7, 2026

feat: add custom_cif supporting biotite_utils and tests
OleinikovasV
committed

Commits on Apr 8, 2026

Commits on Apr 13, 2026

Commits on Apr 15, 2026

change system grouping and peptide/ligand definition; added tests for predictable behaviour
OleinikovasV
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Commits on Apr 16, 2026

chore: cleanup inconsistencies after changed grouping
OleinikovasV
committed

Commits on Apr 23, 2026

feat: improved custom cif ligand handling
OleinikovasV
committed

Commits on Apr 28, 2026

Commits on May 13, 2026