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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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Setup.py is missing install_requires
#600
marcosfelt
closed
1 year ago
2
Macros for creating solutions and workups
#599
brilee
closed
2 years ago
8
Create macros for solutions and workups
#598
brilee
closed
3 years ago
0
Error in reaction landing page generation
#597
skearnes
closed
3 years ago
1
Steve Google->Relay
#596
skearnes
closed
3 years ago
1
Update proto (textures, well plate locations)
#595
connorcoley
closed
3 years ago
1
Missing dependency in example_requirements.txt
#594
DocMinus
closed
2 years ago
2
Add LIQUID and SOLID texture types
#593
connorcoley
closed
3 years ago
0
Update message_helpers.py
#592
skearnes
closed
3 years ago
1
Updates to the reaction landing page
#591
skearnes
closed
3 years ago
3
Updates for reaction landing pages
#590
skearnes
closed
3 years ago
1
Add plate/well identifiers
#589
skearnes
closed
3 years ago
0
Add reaction.html template to setup.py
#588
skearnes
closed
3 years ago
1
Improvements to reaction rendering
#587
skearnes
opened
3 years ago
0
Look at adapter/integration with EnzymeML
#586
connorcoley
closed
3 years ago
1
Reaction landing page
#585
skearnes
closed
3 years ago
2
Relaxing workup validations
#584
connorcoley
closed
3 years ago
1
Add PROTEIN_SEQUENCE compound identifier type
#583
skearnes
closed
3 years ago
3
Add failing packages to example_requirements
#582
michaelmaser
closed
3 years ago
1
Add failing packages to example_requirements
#581
michaelmaser
closed
3 years ago
1
Add example_requirements to test workflow
#580
michaelmaser
closed
3 years ago
1
Updates to docs
#579
skearnes
closed
3 years ago
1
Example dataset usage in downstream machine learning modeling
#578
michaelmaser
closed
3 years ago
2
Add Binder support for example notebooks
#577
skearnes
closed
3 years ago
2
Add validators for workup amount
#576
brilee
closed
3 years ago
3
Properly diff Git LFS files
#575
skearnes
closed
3 years ago
1
Properly handle deleted files
#574
skearnes
closed
3 years ago
1
Clarify use of workup.amount field
#573
michaelmaser
closed
3 years ago
1
Only check type and details for non-empty messages
#572
skearnes
closed
3 years ago
1
Update TemperatureConditions warning to avoid estimates
#571
skearnes
closed
3 years ago
1
Update list_dois.py to handle multiple suffixes
#570
skearnes
closed
3 years ago
1
process_dataset.py is not correctly handling deleted files
#569
skearnes
closed
3 years ago
0
Add --filter flag to validate_dataset.py
#568
skearnes
closed
3 years ago
1
Refactor migrate_schema.py so it can be used in scripts
#567
skearnes
closed
3 years ago
1
Do not resolve NAME identifiers during submission
#566
skearnes
closed
3 years ago
5
Updates to parse_uspto.py
#565
skearnes
closed
3 years ago
1
Render reactions based on reaction SMILES
#564
skearnes
closed
3 years ago
1
Remove data_storage{_test}.py
#563
skearnes
closed
3 years ago
1
Updates to reaction rendering
#562
skearnes
closed
3 years ago
1
Add Jay Stevens to the AB
#561
skearnes
closed
3 years ago
1
Make gzip reproducible
#560
skearnes
closed
3 years ago
1
Allow reactions to pass validations if they only have reaction SMILES
#559
skearnes
closed
3 years ago
2
Add a "compact" reaction view
#558
skearnes
closed
3 years ago
1
Refactor message subfields to remove nesting
#557
michaelmaser
closed
3 years ago
3
Proposal to de-nest VesselType
#556
skearnes
closed
3 years ago
15
Update badges/reactions.py to count reactions
#555
skearnes
closed
3 years ago
1
Add CompoundIdentifier for amino acid sequence
#554
connorcoley
closed
3 years ago
0
Improve process_dataset output
#553
skearnes
closed
3 years ago
1
Adjust process_dataset to avoid OOM errors
#552
skearnes
closed
3 years ago
3
Add support for reading/writing gzipped messages
#551
skearnes
closed
3 years ago
3
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