open-reaction-database / ord-data

Official data repository for the Open Reaction Database
https://open-reaction-database.org
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update the 750 AstraZeneca ELN pbtxt file (#122) #123

Closed connorcoley closed 2 years ago

connorcoley commented 2 years ago

one ligand smiles missing

The .pbtxt file generated from 750 reactions from AstraZeneca ELN.

One Smiles missing

Solving one missing catalyst smiles string.

A pbtxt file includes 750 reactions generated from AstraZeneca ELN

A pbtxt file includes 750 reactions generated from AZ ELN

The spreadsheet for 750 reactions generated from AZ ELN

This pbtxtx file includes 750 Buchwald_Hartwig reactions generated from AstraZeneca ELN. New features have been updated including reaction type, index, created date, dataset description, experimental Note.

correct ligand amount information of the original AZ_dataset.pbtxt file.

github-actions[bot] commented 2 years ago
Change summary: Filename Added Removed Changed
AZ_dataset.pbtxt 0 0 0
0 0 0
github-actions[bot] commented 2 years ago
Change summary: Filename Added Removed Changed
AZ_dataset.pbtxt 0 0 0
0 0 0
github-actions[bot] commented 2 years ago
Change summary: Filename Added Removed Changed
data/00/ord_dataset-00005539a1e04c809a9a78647bea649c.pb.gz 750 0 0
750 0 0
github-actions[bot] commented 2 years ago
Change summary: Filename Added Removed Changed
data/00/ord_dataset-00005539a1e04c809a9a78647bea649c.pb.gz 750 0 0
750 0 0
connorcoley commented 2 years ago

Thanks @bznan !! It's all merged in.

bznan commented 2 years ago

Thanks!