InformaticsMatters/fragnet issues and pull requests

#49 - Bump requests from 2.21.0 to 2.31.0 in /python

Pull Request - State: open - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#48 - Remove deprecated smsd code from depict

Issue - State: open - Opened by tdudgeon over 2 years ago

#47 - Morgan fingerprints cause crash

Issue - State: open - Opened by tdudgeon almost 3 years ago

#46 - Need to redeploy fragnet search services.

Issue - State: closed - Opened by tdudgeon about 3 years ago

#45 - provide find_expansions endpoint

Issue - State: closed - Opened by tdudgeon about 3 years ago

#44 - Allow to fetch synthons for a molecule

Issue - State: closed - Opened by tdudgeon about 3 years ago - 1 comment

#43 - Add find_molecule endpoint

Issue - State: closed - Opened by tdudgeon about 3 years ago - 1 comment

#42 - #38 update keycloak and fix search container to use rdkit correctly

Pull Request - State: closed - Opened by alanbchristie over 3 years ago

#41 - Issue37 separate search and depict containers

Pull Request - State: closed - Opened by alanbchristie over 3 years ago

#40 - Issue37 separate search and depict containers

Pull Request - State: closed - Opened by alanbchristie over 3 years ago

#39 - Issue37 separate search and depict containers

Pull Request - State: closed - Opened by alanbchristie over 3 years ago

#38 - Update keycloak libs.

Issue - State: open - Opened by tdudgeon almost 4 years ago - 2 comments

#37 - Create separate containers for search and depict

Issue - State: open - Opened by tdudgeon almost 4 years ago - 1 comment

#36 - Handle InChi and InChiKey

Issue - State: open - Opened by tdudgeon over 4 years ago
Labels: bug

#35 - #34 implemented min and max value for hac and rac in expansion searches

Pull Request - State: closed - Opened by tdudgeon over 4 years ago

#34 - Allow to specify different min and max values for hac and rac in expansion searches

Issue - State: open - Opened by tdudgeon over 4 years ago

#33 - Issue25 standardisation

Pull Request - State: closed - Opened by tdudgeon over 4 years ago

#32 - Allow SSS a precursor fragment searches

Issue - State: open - Opened by tdudgeon over 4 years ago
Labels: enhancement

#31 - Errors in grouping

Issue - State: open - Opened by tdudgeon over 4 years ago

#30 - Bump ansible from 2.9.0 to 2.9.2 in /orchestration

Pull Request - State: closed - Opened by dependabot[bot] over 4 years ago - 2 comments
Labels: dependencies

#29 - Gradle build task does not work in Travis

Issue - State: open - Opened by alanbchristie over 4 years ago - 1 comment
Labels: bug, question

#28 - Only produce stable images on formal tags

Issue - State: open - Opened by alanbchristie over 4 years ago

#27 - - publish now publishes 'stable' images when tagged

Pull Request - State: closed - Opened by alanbchristie over 4 years ago

#26 - tagged releases should result in 'stable' container tags

Issue - State: closed - Opened by alanbchristie over 4 years ago - 1 comment

#25 - Implement standardisation for fragnet search queries

Issue - State: open - Opened by tdudgeon over 4 years ago - 2 comments
Labels: enhancement

#24 - Add endpoint for expanding multiple molecules at once

Issue - State: closed - Opened by tdudgeon over 4 years ago - 1 comment
Labels: enhancement

#23 - Reporting info on database contents

Issue - State: open - Opened by tdudgeon over 4 years ago
Labels: enhancement

#22 - Consider removing orchestration

Issue - State: open - Opened by alanbchristie over 4 years ago
Labels: enhancement

#21 - - Attempt to fix versioning

Pull Request - State: closed - Opened by alanbchristie over 4 years ago

#20 - Fix the docker image versioning

Issue - State: closed - Opened by alanbchristie over 4 years ago - 1 comment

#19 - Restore GroupMemberSpec tests

Issue - State: closed - Opened by tdudgeon over 4 years ago - 2 comments

#18 - Create a REST health check endpoint that also checks if the graph db is running

Issue - State: closed - Opened by tdudgeon over 4 years ago - 3 comments
Labels: enhancement

#17 - Limit searches

Issue - State: open - Opened by tdudgeon almost 5 years ago - 1 comment
Labels: enhancement

#16 - 13 k8s deployment

Pull Request - State: closed - Opened by alanbchristie almost 5 years ago

#15 - Process toxcast molecules

Issue - State: open - Opened by tdudgeon almost 5 years ago - 1 comment

#14 - Add InChi info to nodes

Issue - State: open - Opened by tdudgeon almost 5 years ago

#13 - ORN deployment for fragnet-search

Issue - State: closed - Opened by tdudgeon almost 5 years ago - 4 comments

#12 - Use of Java logging for queries

Pull Request - State: closed - Opened by alanbchristie about 5 years ago

#11 - Experiment with java logging for query logs

Issue - State: open - Opened by alanbchristie about 5 years ago

#10 - A more invasive test.sh

Issue - State: closed - Opened by alanbchristie about 5 years ago - 1 comment

#9 - Consider closing port 8080

Issue - State: open - Opened by alanbchristie about 5 years ago

#8 - - Adds search_suppliers() method

Pull Request - State: closed - Opened by alanbchristie over 5 years ago

#7 - Add search_suppliers() query

Issue - State: closed - Opened by alanbchristie over 5 years ago - 1 comment

#6 - Issue 3 molport 2019 05

Pull Request - State: closed - Opened by alanbchristie over 5 years ago

#5 - Support MolPort 2019-05 (and new neo4j image)

Issue - State: closed - Opened by alanbchristie over 5 years ago - 1 comment

#4 - Issue 3

Pull Request - State: closed - Opened by alanbchristie over 5 years ago

#3 - Support container restarts & multiple databases

Issue - State: closed - Opened by alanbchristie over 5 years ago - 1 comment

#2 - Add authentication to REST service

Issue - State: open - Opened by tdudgeon over 5 years ago
Labels: enhancement

#1 - Modify fragalysis collation and augmentation code for new data model

Issue - State: open - Opened by tdudgeon over 5 years ago
Labels: enhancement

GitHub / InformaticsMatters/fragnet issues and pull requests