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Commits on Apr 17, 2025

• Fix docs for pot file in ip_ea wf

  rashatwi

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  7194c76

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• Fix page references

  rashatwi

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  2756924

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• Fix page references

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  8e301a6

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• Fix page references

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  a62e2e0

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• Fix page references

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  b6f33bb

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• Update documentation

  rashatwi

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  98ff8e1

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• Update documentation

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  911704d

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• Update documentation

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• Update documentation

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• Update documentation

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  07347c6

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• Correct OpenBabel link

  rashatwi

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• Update installation instructions to recommend conda environments and specify Python version 3.10 or higher. Include additional software dependencies and installation notes.

  rashatwi

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Commits on Apr 16, 2025

• Refactor DataFrame concatenation to use pd.concat instead of append

  rashatwi

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Commits on Apr 15, 2025

• Clarify docstring

  rashatwi

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• Refactor path validation to check for file existence instead of dir

  rashatwi

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Commits on Apr 10, 2025

• Update installation instructions in README

  rashatwi

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  03f4fed

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• Add optional 'utils' dependency for bibtexparser

  rashatwi

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Commits on Apr 9, 2025

• Add optional 'chem' dependency

  rashatwi

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  b25d7c8

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• Update links

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  4a2d930

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• Update citation

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  a1f3148

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• Update citation

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  10fd36f

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• Refactor README

  rashatwi

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  592888e

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• Update ReadME

  rashatwi

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• Add section describing existing workflows

  rashatwi

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• Enhance README formatting and update links to use markdown references

  rashatwi

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Commits on Mar 27, 2025

• Update logo URL in README and improve formatting

  rashatwi

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• Update scipy and mdproptools dependencies to latest versions

  rashatwi

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  bfe0a97

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• Update mdproptools dependency to version 0.0.5

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Commits on Jan 31, 2025

• Update Python version requirements to 3.10+

  rashatwi

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  878d01f

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• Fix Python version formatting

  rashatwi

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  bf45e58

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• Update Python version in build-deploy workflow

  rashatwi

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  c192c44

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• Update custodian dependency to version 2024.10.16

  rashatwi

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  09ee308

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• Reorder strict dependency for custodian

  rashatwi

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  55a38b0

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• Add strict dependency for custodian

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Commits on Jan 30, 2025

• Merge branch 'master' into development

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