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Miniaturised Suzuki couplings, reductive aminations, and N-alkylation #203

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Miniaturised Suzuki couplings, reductive aminations, and N-alkylation #203

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Commits on Sep 26, 2024

  1. Miniaturised Suzuki couplings, reductive aminations, and N-alkylations ( 

    #202)

* 1440 suzuki rxns

1440 suzuki rxns from https://doi.org/10.1038/s44160-023-00351-1.

* added first subset of reductive aminations, and added name for suzuki dataset

* now with all 3 dataset files including updates to suzuki and red am

* Rogue quotation mark in description - fixed

* Delete alkylation_merge.pbtxt

* Fixed tag on core_SMILES outcome

* Added dataset name and descriptor to Suzuki
    @bdeadman
    bdeadman authored Sep 26, 2024
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  2. Update submission

    github-actions committed Sep 26, 2024
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Commits on Sep 27, 2024

  1. Update badges

    github-actions committed Sep 27, 2024
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Commits on Oct 7, 2024

  1. Merge branch 'main' into cernak-mini

    @skearnes
    skearnes committed Oct 7, 2024
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Commits on Oct 9, 2024

  1. Replace the Suzuki dataset 

    Replacement Suzuki dataset updated after review.
    @bdeadman
    bdeadman committed Oct 9, 2024
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Commits on Oct 10, 2024

  1. updated reductive amination dataset to include library synthesis

    @bdeadman
    bdeadman committed Oct 10, 2024
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    github-actions committed Oct 10, 2024
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    github-actions committed Oct 10, 2024
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  4. updated alkylation dataset 

    Updates made in response to peer review.
    @bdeadman
    bdeadman committed Oct 10, 2024
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