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open-reaction-database
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ord-schema
Schema for the Open Reaction Database
https://open-reaction-database.org
Apache License 2.0
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Option `ValidationOptions(allow_reaction_smiles_only=False)` has no effect in `validate_message` or `validate_datasets`
#691
alexarnimueller
closed
11 months ago
4
fix typo in convention
#690
qai222
closed
1 year ago
1
put rdkit functions in the public schema
#689
skearnes
closed
1 year ago
1
Add is_mined flag for text mining data
#688
skearnes
closed
1 year ago
1
Track dataset changes with MD5
#687
skearnes
closed
1 year ago
1
Require provenance by default
#686
skearnes
closed
1 year ago
1
Use MD5 to track dataset versions in the ORM
#685
skearnes
closed
1 year ago
0
reaction role
#684
qai222
closed
1 year ago
4
Stoichiometry
#683
qai222
closed
1 year ago
1
side product and byproduct
#682
qai222
closed
1 year ago
0
remove environment.yml
#681
skearnes
closed
1 year ago
1
Prioblem running Jupyter Notebook
#680
stuchalk
closed
1 year ago
6
Fix enumeration issue when amount is undefined in template
#679
connorcoley
closed
1 year ago
1
Allow negative FloatValue.value
#678
skearnes
closed
1 year ago
1
Workaround for RDKit postgres exception
#677
skearnes
closed
1 year ago
1
bump protobuf to 4.22.3
#676
skearnes
closed
1 year ago
1
Workaround for RDKit postgres exception
#675
skearnes
closed
1 year ago
1
Add MANIFEST.in
#674
skearnes
closed
1 year ago
1
ORM readme updates
#673
skearnes
closed
1 year ago
1
`add_rdkit` error out for a particular dataset
#672
qai222
closed
1 year ago
5
fix: update examples to use latest version
#671
flyi
closed
1 year ago
1
Remove stale roadmap from website
#670
skearnes
closed
1 year ago
1
Better ORM context information
#669
skearnes
closed
1 year ago
3
Fix publish
#668
skearnes
closed
1 year ago
0
Fix publish
#667
skearnes
closed
1 year ago
1
proto updates
#666
skearnes
closed
1 year ago
3
Add JavaScript wrappers
#665
skearnes
closed
1 year ago
2
Some additional minor proto edits
#664
skearnes
closed
1 year ago
1
Add rdkit extensions for reactions
#663
skearnes
closed
1 year ago
1
diff on loaded database versus the state of master
#662
ipendlet
opened
1 year ago
0
Update parse_uspto.py
#661
skearnes
closed
1 year ago
1
update protobuf version
#660
skearnes
closed
1 year ago
6
fix args
#659
skearnes
closed
1 year ago
0
update badges/reactions.py
#658
skearnes
closed
1 year ago
1
fix: cast to int
#657
skearnes
closed
1 year ago
1
Programmatic ORM mapper definitions
#656
skearnes
closed
1 year ago
1
ORM query helpers
#655
skearnes
closed
1 year ago
2
psycopg2 fails installation
#654
marcosfelt
closed
1 year ago
4
Add new protobuf format for the new database
#653
FanwangM
closed
1 year ago
3
Add draft for database cleaning
#652
FanwangM
closed
1 year ago
2
Updates for ORM workflows
#651
skearnes
closed
1 year ago
2
Psycopg2 dependency fails to compile in CI/CD
#650
d-miketa
closed
1 year ago
1
Improvements to fetch_dataset
#649
skearnes
closed
1 year ago
1
ORM documentation
#648
skearnes
closed
1 year ago
1
Add add_dataset.py and better logging
#647
skearnes
closed
1 year ago
2
Structure search
#646
skearnes
closed
1 year ago
1
Add with_polymorphic mappers for query construction
#645
skearnes
closed
1 year ago
1
Update advisory board
#644
skearnes
closed
1 year ago
1
ORM for proto <-> PostgreSQL
#643
skearnes
closed
1 year ago
3
Add ord_schema API docs
#642
skearnes
closed
2 years ago
1
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