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fix(io): release RDKit supplier handle before overwriting SDF on Windows Tests #37: Commit 74474ed pushed by isayev
4m 8s main
main
4m 8s
Auto3D 3.5.0 Publish to PyPI #1: Release v3.5.0 published by isayev
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Merge pull request #110 from isayevlab/release/3.5.0 Tests #36: Commit 0d21094 pushed by isayev
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Release prep: finalize CHANGELOG for 3.5.0 Tests #35: Pull request #110 opened by isayev
3m 33s release/3.5.0
release/3.5.0
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Merge pull request #109 from isayevlab/fix/rtd-python-311 Tests #34: Commit cfc20ef pushed by isayev
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main
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Fix Read the Docs build: use Python 3.11 Tests #33: Pull request #109 opened by isayev
3m 16s fix/rtd-python-311
fix/rtd-python-311
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Merge pull request #108 from isayevlab/feat/live-progress Tests #32: Commit c0d3332 pushed by isayev
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Merge pull request #108 from isayevlab/feat/live-progress Documentation #42: Commit c0d3332 pushed by isayev
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Live optimization progress display in auto3d run Documentation #41: Pull request #108 opened by isayev
11m 48s feat/live-progress
feat/live-progress
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Live optimization progress display in auto3d run Tests #31: Pull request #108 opened by isayev
3m 30s feat/live-progress
feat/live-progress
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Merge pull request #107 from isayevlab/feat/models-test Tests #30: Commit 25128fc pushed by isayev
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Merge pull request #107 from isayevlab/feat/models-test Documentation #40: Commit 25128fc pushed by isayev
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Add auto3d models test <engine> health check Documentation #39: Pull request #107 opened by isayev
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feat/models-test
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Add auto3d models test <engine> health check Tests #29: Pull request #107 opened by isayev
3m 21s feat/models-test
feat/models-test
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Merge pull request #106 from isayevlab/refactor/api-coherence Tests #28: Commit 289463a pushed by isayev
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Merge pull request #106 from isayevlab/refactor/api-coherence Documentation #38: Commit 289463a pushed by isayev
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main
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API coherence: WorkflowResult return type, public-surface hygiene, config de-dup Tests #27: Pull request #106 opened by isayev
3m 41s refactor/api-coherence
refactor/api-coherence
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API coherence: WorkflowResult return type, public-surface hygiene, config de-dup Documentation #37: Pull request #106 opened by isayev
12m 2s refactor/api-coherence
refactor/api-coherence
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Merge pull request #105 from isayevlab/feat/cli-first-class Documentation #36: Commit 0d6d83e pushed by isayev
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Merge pull request #105 from isayevlab/feat/cli-first-class Tests #26: Commit 0d6d83e pushed by isayev
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main
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Make the CLI a first-class citizen: energy/optimize/thermo/tautomers + modernization Documentation #35: Pull request #105 opened by isayev
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feat/cli-first-class
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Make the CLI a first-class citizen: energy/optimize/thermo/tautomers + modernization Tests #25: Pull request #105 opened by isayev
3m 14s feat/cli-first-class
feat/cli-first-class
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Merge pull request #104 from isayevlab/docs/sync-with-code Tests #24: Commit 551e4b2 pushed by isayev
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Merge pull request #104 from isayevlab/docs/sync-with-code Documentation #34: Commit 551e4b2 pushed by isayev
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main
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Sync docs, guides, and example configs with current code Documentation #33: Pull request #104 opened by isayev
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docs/sync-with-code
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