Turn into package and improve chain handling. - #31

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colbyford wants to merge 9 commits into

DunbrackLab:mainfrom

Commits on Aug 29, 2026

Refactor ipsae.py into installable src/ipsae package with identical outputs

Copilot
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colbyford
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b23569a
Add regression test suite, fixtures, and updated README

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colbyford
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8f8c4ce
Document calc_d0_array L=27 quirk kept for byte-identical outputs

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colbyford
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8d17723

Commits on Aug 30, 2026

Reorg examples
colbyford
committed
4a0c0d7
Update Python code example in README.md
colbyford
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69609ca
Update pyproject.toml
colbyford
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cbfbb70
Add BDBV scFv example
colbyford
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664247b
Merge pull request #1 from colbyford/copilot/improve-scoring-capabilities
colbyford
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5d867f5
Update README.md
colbyford
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b699081