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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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26
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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
2 years ago
1
ORM for proto <-> PostgreSQL
#643
skearnes
closed
2 years ago
3
Add ord_schema API docs
#642
skearnes
closed
2 years ago
1
Use python 3.9
#641
skearnes
closed
2 years ago
2
token
#640
skearnes
closed
2 years ago
1
use github cli to create the release
#639
skearnes
closed
2 years ago
1
Revert "create release as part of publish job"
#638
skearnes
closed
2 years ago
1
create release as part of publish job
#637
skearnes
closed
2 years ago
1
Install rdkit from pypi by default
#636
skearnes
closed
2 years ago
1
Update binder configuration
#635
skearnes
closed
2 years ago
1
update installation instructions
#634
skearnes
closed
2 years ago
1
install build
#633
skearnes
closed
2 years ago
1
Update publish.yml
#632
skearnes
closed
2 years ago
1
Include compiled proto wrappers
#631
skearnes
closed
2 years ago
1
Push to PyPI after every merge
#630
skearnes
closed
2 years ago
5
pip install ord-schema
#629
skearnes
closed
2 years ago
0
Replace absl/absltest with docopt/pytest
#628
skearnes
closed
2 years ago
1
Add a RecordEvent for approximately when the reaction was run?
#627
skearnes
opened
2 years ago
0
Added requirements dependency to setup.py
#626
ipendlet
closed
2 years ago
1
Use black for code formatting
#625
skearnes
closed
2 years ago
1
Update advisory board membership
#624
connorcoley
closed
2 years ago
1
Fix binder build
#623
skearnes
closed
2 years ago
1
Problem with `mybinder` link
#622
FanwangM
closed
2 years ago
6
fix safe_join
#621
skearnes
closed
2 years ago
1
Validation fails with latest RDKit version
#620
skearnes
closed
1 year ago
1
updates for docs
#619
skearnes
closed
2 years ago
1
Updates for creating inputs/outputs from reaction SMILES
#618
skearnes
closed
1 year ago
1
Some USPTO reactions have no inputs/outputs
#617
skearnes
closed
2 years ago
2
ML example is failing due to strange keras error
#616
skearnes
closed
1 year ago
3
migrate reaction landing pages to ord-interface
#615
skearnes
closed
2 years ago
1
update GA
#614
skearnes
closed
2 years ago
1
Reaction landing pages do not show workup.input (e.g., for ADDITION workup steps)
#613
connorcoley
opened
2 years ago
0
Fixes for landing pages
#612
skearnes
closed
2 years ago
1
Show dataset ID in reaction landing page breadcrumbs
#611
skearnes
closed
2 years ago
1
Add unmeasured amounts to proto
#610
connorcoley
closed
3 years ago
1
Fix broken landing pages
#609
skearnes
closed
3 years ago
1
Update list_dois.py
#608
skearnes
closed
1 year ago
2
Add optical rotation as an analysis type
#607
brilee
closed
1 month ago
1
In auto-generated DOI list, show dataset description
#606
connorcoley
closed
2 years ago
7
Improve definition of "amounts" for saturated solutions
#605
connorcoley
closed
3 years ago
2
Orgsyn example update
#604
connorcoley
closed
3 years ago
1
Fix a bug in ID reference replacements
#603
skearnes
closed
3 years ago
1
Dataset processing raises a key error
#602
skearnes
closed
3 years ago
0
Add install_requires to setup.py
#601
marcosfelt
closed
2 years ago
5
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