feat: add cyclic peptide support to relative position encoding - #281

Merged

jandom merged 19 commits into

aqlaboratory:mainfrom

UnnaturalProducts:feature/cyclic-offset

Jul 8, 2026

Commits on Jun 24, 2026

feat: implement cyclic offset calculation and integrate into relpos_complex
ioannisa92
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81aa57b
feat: add cyclic mask feature to structure featurization
ioannisa92
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b64d767
feat: add cyclic annotation to segment atom arrays in structure query
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83568bc
feat: add cyclic flag to Chain model for enhanced configuration
ioannisa92
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e53243f
feat: add example inference input for cyclic multimer with chain B
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5b1fd16
feat: enhance relpos_complex to support multiple chains with cyclic masks
ioannisa92
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2fdb62a

Commits on Jun 26, 2026

feat: add tests for cyclic offset and relpos_complex functionality
ioannisa92
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693cd4a

Commits on Jun 29, 2026

Commits on Jun 30, 2026

Commits on Jul 2, 2026

format:
ioannisa92
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988f478
format:
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d980792
format:
ioannisa92
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75dc357
refactor: move relpos test to core/utils
ioannisa92
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ef0cf5b

Commits on Jul 6, 2026

feat: update test data for non-standard and standard peptide structures
ioannisa92
committed
2ce5037

Commits on Jul 7, 2026