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InformaticsMatters
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fragnet
Fragment network tooling
Apache License 2.0
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Bump requests from 2.21.0 to 2.31.0 in /python
#49
dependabot[bot]
opened
1 year ago
0
Remove deprecated smsd code from depict
#48
tdudgeon
opened
2 years ago
0
Morgan fingerprints cause crash
#47
tdudgeon
opened
2 years ago
0
Need to redeploy fragnet search services.
#46
tdudgeon
closed
2 years ago
0
provide find_expansions endpoint
#45
tdudgeon
closed
3 years ago
0
Allow to fetch synthons for a molecule
#44
tdudgeon
closed
3 years ago
1
Add find_molecule endpoint
#43
tdudgeon
closed
3 years ago
1
#38 update keycloak and fix search container to use rdkit correctly
#42
alanbchristie
closed
3 years ago
0
Issue37 separate search and depict containers
#41
alanbchristie
closed
3 years ago
0
Issue37 separate search and depict containers
#40
alanbchristie
closed
3 years ago
0
Issue37 separate search and depict containers
#39
alanbchristie
closed
3 years ago
0
Update keycloak libs.
#38
tdudgeon
opened
3 years ago
2
Create separate containers for search and depict
#37
tdudgeon
opened
3 years ago
1
Handle InChi and InChiKey
#36
tdudgeon
opened
4 years ago
0
#34 implemented min and max value for hac and rac in expansion searches
#35
tdudgeon
closed
4 years ago
0
Allow to specify different min and max values for hac and rac in expansion searches
#34
tdudgeon
opened
4 years ago
0
Issue25 standardisation
#33
tdudgeon
closed
4 years ago
0
Allow SSS a precursor fragment searches
#32
tdudgeon
opened
4 years ago
0
Errors in grouping
#31
tdudgeon
opened
4 years ago
0
Bump ansible from 2.9.0 to 2.9.2 in /orchestration
#30
dependabot[bot]
closed
3 years ago
2
Gradle build task does not work in Travis
#29
alanbchristie
opened
4 years ago
1
Only produce stable images on formal tags
#28
alanbchristie
opened
4 years ago
0
- publish now publishes 'stable' images when tagged
#27
alanbchristie
closed
4 years ago
0
tagged releases should result in 'stable' container tags
#26
alanbchristie
closed
4 years ago
1
Implement standardisation for fragnet search queries
#25
tdudgeon
opened
4 years ago
2
Add endpoint for expanding multiple molecules at once
#24
tdudgeon
closed
4 years ago
1
Reporting info on database contents
#23
tdudgeon
opened
4 years ago
0
Consider removing orchestration
#22
alanbchristie
opened
4 years ago
0
- Attempt to fix versioning
#21
alanbchristie
closed
4 years ago
0
Fix the docker image versioning
#20
alanbchristie
closed
4 years ago
1
Restore GroupMemberSpec tests
#19
tdudgeon
closed
4 years ago
2
Create a REST health check endpoint that also checks if the graph db is running
#18
tdudgeon
closed
4 years ago
3
Limit searches
#17
tdudgeon
opened
4 years ago
1
13 k8s deployment
#16
alanbchristie
closed
4 years ago
0
Process toxcast molecules
#15
tdudgeon
opened
4 years ago
1
Add InChi info to nodes
#14
tdudgeon
opened
4 years ago
0
ORN deployment for fragnet-search
#13
tdudgeon
closed
4 years ago
4
Use of Java logging for queries
#12
alanbchristie
closed
4 years ago
0
Experiment with java logging for query logs
#11
alanbchristie
opened
4 years ago
0
A more invasive test.sh
#10
alanbchristie
closed
4 years ago
1
Consider closing port 8080
#9
alanbchristie
opened
5 years ago
0
- Adds search_suppliers() method
#8
alanbchristie
closed
5 years ago
0
Add search_suppliers() query
#7
alanbchristie
closed
5 years ago
1
Issue 3 molport 2019 05
#6
alanbchristie
closed
5 years ago
0
Support MolPort 2019-05 (and new neo4j image)
#5
alanbchristie
closed
5 years ago
1
Issue 3
#4
alanbchristie
closed
5 years ago
0
Support container restarts & multiple databases
#3
alanbchristie
closed
5 years ago
1
Add authentication to REST service
#2
tdudgeon
opened
5 years ago
0
Modify fragalysis collation and augmentation code for new data model
#1
tdudgeon
opened
5 years ago
0