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fix: add pytest-xdist to dev dependencies Deploy Documentation #119: Commit 5cb182d pushed by elkins
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chore: bump version to 0.2.1, optimize tests, and fix linting/typing Deploy Documentation #118: Commit 6ca1a37 pushed by elkins
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data: add 2KJR PDB, NOE restraints, and BMRB chemical shifts for diff… Deploy Documentation #117: Commit e90f17c pushed by elkins
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Fix mypy index typing error Deploy Documentation #116: Commit 307ed09 pushed by elkins
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Fix mypy no-any-return error and unused configs Deploy Documentation #115: Commit 91aaf87 pushed by elkins
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benchmarks/2KZV/README updates Deploy Documentation #114: Commit 042f1e8 pushed by elkins
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Edited benchmarks/2KZV/README.md Deploy Documentation #113: Commit e22f17c pushed by elkins
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docs: align Zenodo badge style with sibling projects using Shields.io Deploy Documentation #112: Commit e59ac9b pushed by elkins
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docs: fix Zenodo badge rendering by using version-specific DOI for image Deploy Documentation #111: Commit a1c4a62 pushed by elkins
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docs: add Zenodo badge and update citation information Deploy Documentation #110: Commit 55b9851 pushed by elkins
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README: add honest use-case table to Real-World Considerations Deploy Documentation #109: Commit 0fd4881 pushed by elkins
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benchmarks/HR2876B: fix overfitting bugs and update README Deploy Documentation #108: Commit 02c890a pushed by elkins
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docs: clarify architectural philosophy on structural priors Deploy Documentation #107: Commit 95a6bec pushed by elkins
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benchmarks: add harmonic restraint option to HR2876B script Deploy Documentation #106: Commit a641244 pushed by elkins
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benchmarks: add HR2876B benchmark (CASD-NMR 2013 target) Deploy Documentation #105: Commit 112f0bf pushed by elkins
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chore: bump version to 0.2.0 Deploy Documentation #104: Commit 9190579 pushed by elkins
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docs: Update the GmR58A benchmark README Deploy Documentation #103: Commit 429256b pushed by elkins
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docs: remove 'no institutional GitHub access required' remark from Gm… Deploy Documentation #102: Commit c614693 pushed by elkins
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fix(tests): use absolute path for PDB tests, skip if benchmark data a… Deploy Documentation #101: Commit f6b214e pushed by elkins
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test: complete coverage for refinement factories and backbone I/O Deploy Documentation #100: Commit e80a4f3 pushed by elkins
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chore: silence mypy import-untyped warnings for biotite Deploy Documentation #99: Commit e5d869d pushed by elkins
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refactor: extract reusable backbone/NMR helpers from 2KZV benchmark Deploy Documentation #98: Commit 45b9c15 pushed by elkins
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test: add edge case suite for numerical stability and boundary condit… Deploy Documentation #97: Commit 72d48fe pushed by elkins
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tests: fix notebook execution on Windows CI Deploy Documentation #96: Commit 73689cb pushed by elkins
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2KZV: label PAG as primary metric; explain PEG underdetermination Deploy Documentation #95: Commit 4dbe312 pushed by elkins
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