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v0.0.0

@skearnes skearnes tagged this 11 Dec 21:52
* Jun li 2020 patch 1 (#40)

* Add files via upload

Here is to push a new commit with the finalized enumerated suzuki and Pd C-N cross coupling informer library datasets after a few round of review.

* Add files via upload

* Delete enumerate_Pd_CN_dataset_final.pbtxt

* Delete enumerate_Suzuki_dataset_final.pbtxt

* Delete Photodehalogen_Merged_dataset_dataset.pbtxt

* Upload photodehalog HTE dataset incl 5hr conv 

Ref: Bernhard, S. et al "High-throughput Synthesis and Screening of Iridium(III) Photocatalysts for the Fast and Chemoselective Dehalogenation of Aryl Bromides", ACS Catal. 2020, 10, 6977−6987. https://dx.doi.org/10.1021/acscatal.0c02247

* Delete Photodehalogen_Merged_dataset_5hrconv_dataset.pbtxt

* Upload enumerated dataset after correction

Ref: Bernhard, S. et al "High-throughput Synthesis and Screening of Iridium(III) Photocatalysts for the Fast and Chemoselective Dehalogenation of Aryl Bromides"  ACS Catal. 2020, 10, 6977−6987. https://dx.doi.org/10.1021/acscatal.0c02247

Co-authored-by: Steven Kearnes <[email protected]>

* Update submission

* Update badges

Co-authored-by: jun-li-2020 <[email protected]>
Co-authored-by: github-actions <[email protected]>
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