Releases: open-reaction-database/ord-data
Releases · open-reaction-database/ord-data
v0.1.0
Release of the database close the publication of the paper: https://pubs.acs.org/doi/10.1021/jacs.1c09820
What's Changed
- Bump ord-schema version by @skearnes in #43
- Regenerate *.pb datasets after migration by @skearnes in #44
- Add DOIs to README.md by @skearnes in #45
- Clean up provenance DOIs by @skearnes in #49
- pbtxt -> pb in submission workflow by @skearnes in #53
- pbtxt -> pb in README DOIs by @skearnes in #54
- Use Git LFS to store .pb files by @skearnes in #55
- Add Git LFS notes to README.md by @skearnes in #62
- Add USPTO-480K dataset from https://doi.org/10.1039/C8SC04228D (#61) by @skearnes in #64
- Create a submission pull request template by @skearnes in #65
- Add USPTO grants 1976--1989 by @skearnes in #66
- Add USPTO grants 1990--1999 by @skearnes in #67
- Add USPTO grants 2000--2011 by @skearnes in #68
- Add USPTO grants 2012--2016 by @skearnes in #69
- Allow pbtxt submissions by @skearnes in #71
- Merge #70 in main by @skearnes in #73
- Merge #57 into main by @skearnes in #74
- Migrate ord-data to ord-schema v0.3.0 by @skearnes in #75
- Update README DOIs by @skearnes in #76
- Rewrite .pb as .pb.gz by @skearnes in #77
- Add dataset from Novartis by @skearnes in #79
- Bump ord-schema to v0.3.4 by @skearnes in #81
- Update CONTRIBUTORS and README by @skearnes in #85
- Cc submission biginelli by @connorcoley in #83
- Bump ord-schema version to 0.3.9 by @connorcoley in #88
- Coupling of α-carboxyl sp3-carbons with aryl halides (#84) by @connorcoley in #87
- bump ord-schema version by @skearnes in #96
- Huffman islatravir dataset submission (#91) by @michaelmaser in #94
- upload new data (#97) by @connorcoley in #99
- OrgSyn example from ord_schema (#95) by @connorcoley in #102
- Flow dataset from https://pubs.acs.org/doi/full/10.1021/co400012m (#103) by @connorcoley in #104
- Use conda's pip by @skearnes in #106
- #86 by @skearnes in #108
- Merge #93 into main by @skearnes in #109
- Expt2 10.1021/acs.accounts.0c00760 (#100) by @connorcoley in #114
- Update DOI list by @skearnes in #111
- Adds Nielsen deoxyfluorination dataset (#110) by @michaelmaser in #116
- Merge in #98 by @brilee in #117
- update the 750 AstraZeneca ELN pbtxt file (#122) by @connorcoley in #123
- Modifing the origainal AZ ELN dataset (#126) by @connorcoley in #127
Full Changelog: v0.0.0...v0.1.0