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Add Parsley 1.3.1#12

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ntBre merged 19 commits intomasteropenforcefield/yammbs-dataset-submission:masterfrom openff-1.3.1openforcefield/yammbs-dataset-submission:openff-1.3.1Copy head branch name to clipboardNov 19, 2024

+257,506-24

Commits

Commits on Nov 13, 2024

• Add Parsley 1.3.1

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Commits on Nov 14, 2024

• Add benchmark results

  

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Commits on Nov 15, 2024

• tar the results and then upload as a github archive

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• more error handling in check_status

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• add retries, remove fatal argument to check_status

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• move zenodo url to env for testing

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• Add benchmark results

  

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Commits on Nov 16, 2024

• bzip db and export env before trying to tar them

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• skip files that don't exist for easier tar usage

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• set retention period for artifacts

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• move to yammbs 0.1.0 (identical to beta1)

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• add subset of industry dataset for testing

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• add try.yaml

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• Add benchmark results

  

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• remove try.yaml after successful test

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• Add benchmark results

  

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Commits on Nov 18, 2024

• typo

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Commits on Nov 19, 2024

• update readme

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• link typo

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