Add USPTO grants (#58) - Githubissues

open-reaction-database / ord-data

Official data repository for the Open Reaction Database

https://open-reaction-database.org

Creative Commons Attribution Share Alike 4.0 International

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Closed skearnes closed 3 years ago

skearnes commented 3 years ago

Merge #58 into main

skearnes commented 3 years ago

Updates since we've started validating reaction SMILES:

Uploaded new datasets
37906 / 1808937 (~2%) of reactions have invalid reaction SMILES; these are excluded from the submission
Failures are attached

skearnes commented 3 years ago

PS I'm blocking on https://github.com/open-reaction-database/ord-schema/pull/564 so I can get the latest reaction SMILES validations.

skearnes commented 3 years ago

Updates:

My local version of rdkit was out of date and missing some validation errors; rerunning the dataset generation now.
I'm going to split this PR into two or three chunks to improve the cycle time and reduce the risk of timeout in processing.