informaticsmatters/pipelines issues and pull requests

#49 - Bump requests from 2.24.0 to 2.31.0

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

#48 - Bump numpy from 1.19.1 to 1.22.0

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

#47 - ClusterFps treshold

Issue - State: closed - Opened by LivC193 over 3 years ago - 1 comment

#46 - Poster now supports build-time IMAGE_TAG

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

#45 - Try XCOS with lower thresh

Pull Request - State: closed - Opened by Waztom over 4 years ago - 1 comment

#44 - Update README.md

Pull Request - State: closed - Opened by kinow over 4 years ago - 1 comment

#43 - - Doc tweak

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

#42 - - README line-length tweak (PR test)

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

#41 - XCOS scoring version 3

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

#40 - Addded MCs filter to XCOS and removed Scores 2-3

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

#39 - Set van der Waals radius scale

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

#38 - Some issues with the pipelines

Issue - State: open - Opened by simonbray over 4 years ago - 2 comments

#37 - Add pipeline tester

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

#36 - - First cut travis file

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

#35 - Enhancement to rDock docking

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

#34 - Introduce pipeline versioning

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

#33 - CMD changes for latest OpenShiftRunner

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

#32 - Issue 29

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

#31 - Issue 30

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

#30 - Use YAML for all service descriptors

Issue - State: closed - Opened by tdudgeon over 5 years ago - 3 comments
Labels: enhancement

#29 - Support for Python 3 execution

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

#28 - Issue 26 - changes for remote execution

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

#27 - Issue 26 - Changes for Remote Execution

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

#26 - Changes for remote execution

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

#25 - Build-time tags for pipelines images and service descriptors

Issue - State: open - Opened by alanbchristie about 6 years ago - 1 comment

#24 - 23 buildah

Pull Request - State: closed - Opened by alanbchristie over 6 years ago

#23 - Use buildah and Jenkins for rdkit and sdloader image build

Issue - State: open - Opened by alanbchristie over 6 years ago

#22 - Allow to run Nextflow pipelines that us containers that run as non-root users

Issue - State: closed - Opened by tdudgeon over 6 years ago - 2 comments
Labels: bug

#22 - Allow to run Nextflow pipelines that us containers that run as non-root users

Issue - State: closed - Opened by tdudgeon over 6 years ago - 2 comments
Labels: bug

#21 - Improve test coverage

Issue - State: closed - Opened by alanbchristie over 6 years ago - 1 comment

#20 - Use of utils v2

Issue - State: closed - Opened by alanbchristie over 6 years ago

#20 - Use of utils v2

Issue - State: closed - Opened by alanbchristie over 6 years ago

#19 - - First pass changes (awaiting response from Amit)

Pull Request - State: closed - Opened by alanbchristie over 6 years ago

#18 - DMPK pipeline changes (Tweaking V1)

Issue - State: open - Opened by alanbchristie over 6 years ago

#17 - - Changes for pypi-based pipelines-utils

Pull Request - State: closed - Opened by alanbchristie almost 7 years ago

#16 - Pt 7 refactoring

Pull Request - State: closed - Opened by alanbchristie almost 7 years ago

#15 - Merge 14 refactor branch to master

Pull Request - State: closed - Opened by alanbchristie almost 7 years ago

#14 - Refactor

Issue - State: closed - Opened by alanbchristie almost 7 years ago

#13 - MCS deprecation in constrained_conf_gen.py

Issue - State: open - Opened by tdudgeon about 7 years ago - 1 comment
Labels: enhancement

#12 - New formats (PDB stream and JSON stream)

Issue - State: open - Opened by abradle about 7 years ago

#11 - Consistent shebang lines

Pull Request - State: closed - Opened by alanbchristie about 7 years ago

#10 - Documentation Update

Issue - State: open - Opened by alanbchristie about 7 years ago

#9 - Add simply get Enantiomer method

Issue - State: open - Opened by abradle over 7 years ago

#8 - Add ability to run generic reactions.

Issue - State: open - Opened by abradle over 7 years ago

#7 - OpenBabel prepare and fix to weird SMOG bug

Pull Request - State: closed - Opened by abradle over 7 years ago

#6 - Refactoring and fixes

Pull Request - State: closed - Opened by abradle over 7 years ago

#5 - Refactor pipelines project

Pull Request - State: closed - Opened by abradle over 7 years ago

#4 - Allow to use RDKit Mol pickles for IO

Issue - State: open - Opened by tdudgeon over 7 years ago
Labels: enhancement

#3 - Screen using SSS

Issue - State: open - Opened by tdudgeon almost 8 years ago
Labels: new component

#2 - Neutralise function

Issue - State: open - Opened by tdudgeon almost 8 years ago
Labels: enhancement

#1 - Python tests

Issue - State: open - Opened by tdudgeon almost 8 years ago
Labels: enhancement

GitHub / informaticsmatters/pipelines issues and pull requests