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T033: Remove talktorial datamol dependency #351

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merged 7 commits into from
May 17, 2023
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AndreaVolkamer
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@AndreaVolkamer AndreaVolkamer commented May 10, 2023

Description

Remove datamol dependency and use rdkit functionality directly instead. This addresses issue #339.

Todos

  • Remove datamol dependency
  • Notebook broke while merging, need to be fixed

Status

  • Ready to go

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@dominiquesydow dominiquesydow changed the title Remove dm dep T033: Remove dm dep May 11, 2023
@dominiquesydow dominiquesydow changed the title T033: Remove dm dep T033: Remove talktorial dependencies May 11, 2023
@dominiquesydow dominiquesydow added 2023.05.2 (DL edition) [tmp] All PRs for DL edition work in progress Work still ongoing labels May 11, 2023
@AndreaVolkamer AndreaVolkamer changed the title T033: Remove talktorial dependencies T033: Remove talktorial datamol dependency May 15, 2023
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There is some json formatting error in the notebook. I will try to find it.

@mbackenkoehler mbackenkoehler merged commit fca4dbe into DL_edition May 17, 2023
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@mbackenkoehler mbackenkoehler deleted the remove_dm_dep branch May 17, 2023 13:42
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3 participants