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Commits on May 10, 2024

• add newline (NO_JIRA)

  jasonccole

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  83005b2

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• fix more flake (NO_JIRA)

  jasonccole

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  845b1bd

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• Apply suggestions from code review

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  jasonccole

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• Apply suggestions from code review

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  jasonccole

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• add blamk line (NO_JIRA)

  jasonccole

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• Flake doesnt like spaces even though editors add them (NO_JIRA)

  jasonccole

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• Flake fix (NO_JIRA)

  jasonccole

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• Hide flake warnings which are unhelpful. (NO_JIRA)

  jasonccole

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• attend to reviewdog (NO_JIRA)

  jasonccole

  committed
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Commits on May 8, 2024

• Flake Changes NO_JIRA

  Alex-AMC

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• Initial commit of example scripts for API paper

  Alex-AMC

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Commits on Mar 27, 2024

• Merge pull request #53 from ccdc-opensource/emyers-ccdc-update-readme

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Commits on Mar 26, 2024

• Update instructions for activating Python API NO_JIRA

  emyers-ccdc

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Commits on Mar 5, 2024

• Updated .github/workflows/lint-dockerfiles.yml NO_JIRA

  ccdc-github-admin

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• Updated .github/workflows/lint-python.yml NO_JIRA

  ccdc-github-admin

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• Updated .github/workflows/lint-markdown.yml NO_JIRA

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• Updated .github/workflows/lint-yaml.yml NO_JIRA

  ccdc-github-admin

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Commits on Jan 31, 2024

• Updated .github/workflows/common_ccdc_status_checks.yml NO_JIRA

  ccdc-github-admin

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• Updated .github/workflows/lint-python.yml NO_JIRA

  ccdc-github-admin

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Commits on Dec 14, 2023

• Merge pull request #51 from ccdc-opensource/mchbp_improvements

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  pmbulit

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Commits on Dec 12, 2023

• Merge pull request #52 from ccdc-opensource/shape_classification

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  psacchi-ccdc

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• initial commit of November 2023 Webinar scripts NO_JIRA

  psacchi-ccdc

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• initial commit of November 2023 Webinar scripts NO_JIRA

  psacchi-ccdc

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• initial commit of November 2023 Webinar scripts NO_JIRA

  psacchi-ccdc

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Commits on Dec 11, 2023

• initial commit of November 2023 Webinar scripts NO_JIRA

  psacchi-ccdc

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• initial commit of November 2023 Webinar scripts NO_JIRA

  psacchi-ccdc

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Commits on Dec 8, 2023

• added donor and acceptor labels to table in pair report template NO_JIRA

  pmbulit

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Commits on Nov 28, 2023

• initial commit of morphology shape classification NO_JIRA

  psacchi-ccdc

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Commits on Nov 21, 2023

• Merge pull request #48 from Luke2Sky/LucasMilitao

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  pmbulit

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Commits on Nov 10, 2023

• Fixed broken elif.

  MilitaoLucas

  committed
  4ec541d

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• Fixed no custom directory used on .mol2 files.

  MilitaoLucas

  committed
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Commits on Nov 9, 2023

• Merge pull request #1 from ccdc-opensource/main

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  MilitaoLucas

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Commits on Oct 12, 2023

• Merge pull request #46 from Luke2Sky/LucasMilitao

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  Alex-AMC

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Commits on Oct 7, 2023

• Fixed something I perceive as a bug: the chart file that looks to be outside the for loop for coformers is being generated inside a coformer's folder. Changed its location to work_directory variabl…

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  MilitaoLucas

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Commits on Oct 6, 2023

• Fixed Multi-Component Hydrogen Bond Propensity outdated README.md.

  MilitaoLucas

  committed
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