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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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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
Add uspto dataset name and description
#550
skearnes
closed
3 years ago
1
pbtxt -> pb in list_dois.py
#549
skearnes
closed
3 years ago
1
pbtxt -> pb in submission workflow
#548
skearnes
closed
3 years ago
1
Script for parsing USPTO reaction data
#547
skearnes
closed
3 years ago
9
Update roadmap
#546
skearnes
closed
3 years ago
1
Using *.pb as the source of truth
#545
skearnes
closed
3 years ago
7
Use repr() to properly handle MOLBLOCK identifiers
#544
skearnes
closed
3 years ago
1
Write test output to a temporary directory
#543
skearnes
closed
3 years ago
1
Add RDKit UGM video to landing page
#542
skearnes
closed
3 years ago
1
Add type annotations
#541
skearnes
closed
3 years ago
1
fixed environment load, added pbtxt export
#540
ipendlet
closed
3 years ago
2
Preserve user-defined dataset sharding
#539
skearnes
closed
3 years ago
1
Update provenance validations
#538
skearnes
closed
3 years ago
1
Add list of tools to docs sidebar
#537
skearnes
closed
3 years ago
1
Fetch references for DOIs
#536
skearnes
closed
3 years ago
1
Code file reaction_pb2.py Not Found.
#535
LeoAokma
closed
3 years ago
1
Add documentation for dataset templating
#534
skearnes
closed
3 years ago
2
Add helper functions for converting protos into a DataFrame
#533
skearnes
closed
3 years ago
4
Debug failing notebook test
#532
skearnes
closed
3 years ago
1
Documentation for dataset templating
#531
skearnes
closed
3 years ago
0
Documentation for dataset templating
#530
skearnes
closed
3 years ago
1
Documentation for dataset templating
#529
skearnes
closed
3 years ago
1
Create a template/checklist for reviewers
#528
skearnes
opened
3 years ago
2
Clean up after schema migration
#527
skearnes
closed
3 years ago
1
Fix build errors
#526
skearnes
closed
3 years ago
1
Move all docs to ReST
#525
skearnes
closed
3 years ago
2
Support the definition of active species/complexes?
#524
connorcoley
opened
3 years ago
2
aliquot_amount -> amount
#523
skearnes
closed
3 years ago
1
Schema migration
#522
connorcoley
closed
3 years ago
1
Bump protoc version to 3.14.0
#521
skearnes
closed
3 years ago
1
Move ord_schema/interface to ord-interface
#520
skearnes
closed
3 years ago
1
Move Amount to ProductMeasurement
#519
skearnes
closed
3 years ago
2
Add CCAS affiliations
#518
skearnes
closed
3 years ago
2
Refresh schema documentation
#517
skearnes
closed
3 years ago
3
Update handling of reaction roles
#516
michaelmaser
closed
3 years ago
4
is_limiting only applies to REACTANT components
#515
skearnes
closed
3 years ago
2
Product amounts: Should they be ProductMeasurement entries?
#514
skearnes
closed
3 years ago
7
Adjustments to message names in ProductMeasurement
#513
skearnes
closed
3 years ago
6
Add more docs dependencies
#512
skearnes
closed
3 years ago
2
Separate internal standards from products
#511
connorcoley
closed
3 years ago
8
Add explicit requirements for docs deps
#510
skearnes
closed
3 years ago
1
workup -> workups
#509
skearnes
closed
3 years ago
1
Add .readthedocs.yml
#508
skearnes
closed
3 years ago
2
Add Amount and Source messages
#507
skearnes
closed
3 years ago
2
Amount message?
#506
skearnes
closed
3 years ago
3
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