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volcalc / Meredith #1590

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KristinaRiemer opened this issue Sep 12, 2023 · 3 comments
Open

volcalc / Meredith #1590

KristinaRiemer opened this issue Sep 12, 2023 · 3 comments
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KristinaRiemer commented Sep 12, 2023 •
edited by Aariq
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Milestone 2: https://github.com/Meredith-Lab/volcalc/milestone/2
Milestone 3: https://github.com/Meredith-Lab/volcalc/milestone/3
Milestone 4: https://github.com/Meredith-Lab/volcalc/milestone/4
@Aariq Aariq added the Epic label Oct 2, 2023
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Aariq commented May 8, 2024 •
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Wrap-up steps:

  • Keep CRAN submission issue open, but note that it can't happen until ChemmineOB gets fixed
  • Open aspirational issue to not depend on ChemmineOB and import relevant Open Babel functions directly
  • Merge PR with error checking
  • Hold wrap-up with Laura Meredith
  • Report for RConsortium?

@KristinaRiemer KristinaRiemer changed the title volcalc volcalc / Meredith May 8, 2024
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Aariq commented Aug 14, 2024

Additional work:

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Aariq commented Nov 22, 2024

Might want to check in with Laura Meredith one last time before calling this done

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