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Fix duplicate authors section in README
tests
#17:
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Graph Update: pip in /. #1540045731
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Update version and release date in CITATION.cff for v1.2.0
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Graph Update: pip in /. #1540045290
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Update version and release date in CITATION.cff for v1.2.0
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Update version and release date in CITATION.cff for v1.2.0
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Update version and release date in CITATION.cff for v1.2.0
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Merge pull request #4 from ODOR-SIG/engineering-integrity-pass
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Engineering integrity pass: fix SWISS-MODEL overclaim, de-duplicate pipeline, add CLI and provenance manifest
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#11:
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Add per-run provenance manifests and a dataset-level QC/completion re…
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Merge pull request #3 from ODOR-SIG/readme-fixes
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Merge pull request #3 from ODOR-SIG/readme-fixes
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Fix README: reproducibility work visibility
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#6:
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Note test suite, CI, worked example, and CONTRIBUTING.md in README
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Merge pull request #2 from ODOR-SIG/reproducibility-hardening
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Reproducibility hardening
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Use approximate comparison for float assertions in worked-example test
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Add Dockerfile pinning AutoDock Vina, Open Babel, and PyMOL
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#1:
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Change DOI link in README_dataset.md
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Update Zenodo DOI and archive description in README
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Cite the specific dataset version DOI in the dataset README
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Cite the specific dataset version DOI in the dataset README
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Align CITATION.cff release date with the v1.0.0 tag
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Align CITATION.cff release date with the v1.0.0 tag
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