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Merge pull request #55 from patonlab/claude/keen-bardeen-m5y5va CI #59: Commit 67e6923 pushed by bobbypaton
1m 48s master
master
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Update conda recipe sha256 for the 2.1.0 sdist CI #58: Pull request #55 opened by bobbypaton
1m 45s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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2.1.0 Release #3: Release 2.1.0 published by bobbypaton
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Merge pull request #54 from patonlab/claude/keen-bardeen-m5y5va CI #57: Commit 0ad9d5d pushed by bobbypaton
2m 14s master
master
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Bump version to 2.1.0 CI #56: Pull request #54 opened by bobbypaton
1m 53s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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Merge pull request #53 from patonlab/claude/keen-bardeen-m5y5va CI #55: Commit cd5b977 pushed by bobbypaton
2m 22s master
master
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Add --decompose (per-residue %V_bur contributions) and a 2.0 example notebook CI #54: Pull request #53 opened by bobbypaton
1m 55s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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Merge pull request #52 from patonlab/claude/keen-bardeen-m5y5va CI #53: Commit 1d8548d pushed by bobbypaton
1m 35s master
master
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Update conda recipe sha256 for the 2.0.0 sdist CI #52: Pull request #52 opened by bobbypaton
2m 0s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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2.0.0 Release #2: Release 2.0.0 published by bobbypaton
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Merge pull request #51 from patonlab/claude/keen-bardeen-m5y5va CI #51: Commit a45edb3 pushed by bobbypaton
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master
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Configured Graph Update: uv in /. #1591889217 Dependency Graph #5: by dependabot Bot
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master
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Merge pull request #50 from patonlab/dependabot/uv/pytest-9.0.3 CI #50: Commit aca6090 pushed by bobbypaton
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master
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Release 2.0.0: Boltzmann conformer weighting, changelog, version bump CI #49: Pull request #51 opened by bobbypaton
1m 26s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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Bump pytest from 9.0.2 to 9.0.3 CI #48: Pull request #50 opened by dependabot Bot
1m 12s dependabot/uv/pytest-9.0.3
dependabot/uv/pytest-9.0.3
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uv in /. for pytest - Update #1591868224 Dependabot Updates #22: by dependabot Bot
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Configured Graph Update: uv in /. #1591867504 Dependency Graph #4: by dependabot Bot
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Merge pull request #49 from patonlab/claude/keen-bardeen-m5y5va CI #47: Commit 6c60aee pushed by bobbypaton
1m 15s master
master
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2.0 groundwork: argparse CLI, Python 3.10+, from_rdkit helper (step 7) CI #46: Pull request #49 reopened by bobbypaton
1m 9s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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2.0 groundwork: argparse CLI, Python 3.10+, from_rdkit helper (step 7) CI #45: Pull request #49 opened by bobbypaton
1m 12s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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Merge pull request #48 from patonlab/claude/keen-bardeen-m5y5va CI #44: Commit f83dd2c pushed by bobbypaton
1m 13s master
master
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Add trajectory frames: --frames, per-frame runs and CSV time series (proteins/trajectories step 5) CI #43: Pull request #48 opened by bobbypaton
1m 7s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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Merge pull request #47 from patonlab/claude/keen-bardeen-m5y5va CI #42: Commit 2a9834a pushed by bobbypaton
1m 1s master
master
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Add --residue all, result records and --csv output (proteins/trajectories step 4) CI #41: Pull request #47 opened by bobbypaton
1m 2s claude/keen-bardeen-m5y5va
claude/keen-bardeen-m5y5va
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Merge pull request #46 from patonlab/claude/keen-bardeen-m5y5va CI #40: Commit a0f6524 pushed by bobbypaton
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