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fix: give publish-latest its own workflow name
build
#547:
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fix/publish-latest-workflow-name
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feat: reset all Jobs to a single pinned 2.0.0 release (#34)
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feat/reset-to-2.0.0
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chore: drop the unused repository-url and repository-tag keys
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fix/drop-unused-repository-keys
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fix: move moldb-count-rows options under variables, and correct them
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fix/moldb-count-rows-options
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fix: pin silicos-it Jobs to the only tag that exists
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fix/silicos-it-image-tag
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fix: move similarity-screen-rdkit 'derived-from' to annotation-proper…
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fix/derived-from-annotation-placement
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docs: use -i/-o in screen.py examples
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docs/drop-alias-references
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chore: invoke migrated Jobs via the -i/-o short options
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chore/canonical-io-option-spellings
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fix: repair the image builds broken by dropping utils.py
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feat/18-drop-local-utils
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feat(18): drop the local utils.py
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feat(18): adopt the shared CLI helpers in screen.py
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feat/18-adopt-cli-helpers-in-screen
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feat(18): adopt the shared CLI helpers in the rdkit Jobs
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feat/18-adopt-shared-cli-helpers
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fix: apt-get update before installing openbabel in Dockerfile-prep
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fix/dockerfile-prep-apt-index
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fix: bump im-data-manager-job-utilities to 1.3.0
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fix/rdkit-utils-dep-pin
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feat: use im-rdkit-utilities instead of local rdkit_utils.py
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feat/use-im-rdkit-utilities
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fix: pin numpy<2 in rdkit-base and dmpk images
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fix/numpy2-abi-pin
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fix: correct rDock Job display name typo ("rRock" -> "rDock")
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fix/rdock-job-name-typo
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fix: repair moldb-enumerate-mols workflow and correct enumeration count
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fix-moldb-enumerate-mols-pipeline
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fix: rename minValue/maxValue to minimum/maximum in moldb.yaml
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fix-moldb-schema-minmax
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fix: install sigfig dependency in vs-prep image
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various docker build fixes
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fix_minValue
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schema error corrected
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fix_minValue
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minValue -> minimum
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fix_minValue
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minValue -> minimum
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fix_minValue
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fix: Fix concan log
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