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python-publish.yml
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docs: simplify README examples to focus on verified 50ns WT case .github/workflows/python-publish.yml #94: Commit e768a9a pushed by paulshamrat
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docs: use 'cited by' label for both citation badges .github/workflows/python-publish.yml #93: Commit 305f214 pushed by paulshamrat
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docs: change badge label to Visitors .github/workflows/python-publish.yml #92: Commit 5ed25e5 pushed by paulshamrat
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docs: add citation count and repository visitor badges to README .github/workflows/python-publish.yml #91: Commit 9c62654 pushed by paulshamrat
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docs: update README with PSMB8 citation and note on OpenMM transition .github/workflows/python-publish.yml #90: Commit 78fa909 pushed by paulshamrat
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docs: update README with PSMB8 citation and note on OpenMM transition .github/workflows/python-publish.yml #89: Commit a331f0a pushed by paulshamrat
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fix: resolve ruff/black lint errors and add merge progress output .github/workflows/python-publish.yml #88: Commit 4002af1 pushed by paulshamrat
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fix: resolve ruff/black lint errors and add merge progress output .github/workflows/python-publish.yml #87: Commit 4002af1 pushed by paulshamrat
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fix: resolve merge output paths relative to pdbid_dir, not CWD .github/workflows/python-publish.yml #86: Commit fed9cb8 pushed by paulshamrat
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fix: resolve merge output paths relative to pdbid_dir, not CWD .github/workflows/python-publish.yml #85: Commit fed9cb8 pushed by paulshamrat
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fix: force Switch II (resi 57-75) to render as loop cartoon for manus… .github/workflows/python-publish.yml #84: Commit 38620ec pushed by paulshamrat
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fix: force Switch II (resi 57-75) to render as loop cartoon for manus… .github/workflows/python-publish.yml #83: Commit 38620ec pushed by paulshamrat
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Document openmm snapshots command in README .github/workflows/python-publish.yml #82: Commit 68c4a5e pushed by paulshamrat
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Document openmm snapshots command in README .github/workflows/python-publish.yml #81: Commit 68c4a5e pushed by paulshamrat
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Fix: Handle SameFileError when copy2 target is identical to source in… .github/workflows/python-publish.yml #80: Commit 50a3f7a pushed by paulshamrat
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Merge branch 'main' into wip-modular-refactor, resolving file move co… .github/workflows/python-publish.yml #79: Commit 7808484 pushed by paulshamrat
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Standardize openmm status topology stats, file alignment, post-merge … .github/workflows/python-publish.yml #78: Commit 19717fa pushed by paulshamrat
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chore: ignore Sphinx build artifacts .github/workflows/python-publish.yml #77: Commit 213e9cf pushed by paulshamrat
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docs: update README to use openmm_env instead of base .github/workflows/python-publish.yml #76: Commit 8831ac6 pushed by paulshamrat
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chore: ignore test directories .github/workflows/python-publish.yml #75: Commit d663384 pushed by paulshamrat
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feat(modeller): add biological numbering and automated quality control .github/workflows/python-publish.yml #74: Commit dd6f2a3 pushed by paulshamrat
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chore: restore essential assets and final refactor fixes .github/workflows/python-publish.yml #73: Commit df6c7c9 pushed by paulshamrat
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feat(modeller): add biological numbering and automated quality control .github/workflows/python-publish.yml #72: Commit dd6f2a3 pushed by paulshamrat
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fix: implement memory-efficient streaming merge for trajectories .github/workflows/python-publish.yml #71: Commit 958cc15 pushed by paulshamrat
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style: fix linting issues in src to satisfy GitHub Actions .github/workflows/python-publish.yml #70: Commit 815828d pushed by paulshamrat
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