OBrink/RanDepict issues and pull requests

#54 - chore(main): release 1.3.1

Pull Request - State: closed - Opened by OBrink about 1 year ago
Labels: autorelease: pending

#53 - fix: version bump 1.3.0

Pull Request - State: closed - Opened by OBrink about 1 year ago

#52 - Revert "chore(main): release 1.3.0"

Pull Request - State: closed - Opened by OBrink about 1 year ago

#51 - chore(main): release 1.3.0

Pull Request - State: closed - Opened by OBrink about 1 year ago - 1 comment
Labels: autorelease: tagged

#50 - feat: automated_pypi_releases

Pull Request - State: closed - Opened by OBrink about 1 year ago
Labels: enhancement

#49 - fix: only remove PIKAChU if it is there initially (caused crash)

Pull Request - State: closed - Opened by OBrink over 1 year ago

#48 - chore(main): release 1.2.1

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago - 1 comment
Labels: autorelease: tagged

#47 - fix: add Copyright info and modify theme options

Pull Request - State: closed - Opened by Kohulan over 1 year ago

#46 - chore(main): release 1.2.0

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago - 1 comment
Labels: autorelease: tagged

#45 - docs: version bump: 1.1.8-->1.1.9

Pull Request - State: closed - Opened by OBrink over 1 year ago

#44 - feat: add Release-please for automated releases

Pull Request - State: closed - Opened by Kohulan over 1 year ago

#43 - feat: orderly enumeration of R group indices

Pull Request - State: closed - Opened by OBrink over 1 year ago

#42 - fix: Failing documentation theme issues

Pull Request - State: closed - Opened by Kohulan over 1 year ago

#41 - Explicite hydrogen inclusion

Pull Request - State: closed - Opened by OBrink over 1 year ago

#40 - fix wrong import

Pull Request - State: closed - Opened by OBrink over 1 year ago

#39 - catch java NullPointerException during substructure abbreviation

Pull Request - State: closed - Opened by OBrink over 1 year ago

#38 - cxSMILES structures with coordinates

Pull Request - State: closed - Opened by OBrink over 1 year ago

#37 - Include more low-quality images

Issue - State: open - Opened by OBrink over 1 year ago

#36 - Check molecule sanitation

Issue - State: closed - Opened by OBrink over 1 year ago - 1 comment
Labels: enhancement, wontfix

#35 - Generation of invalid markush structure SMILES

Issue - State: closed - Opened by OBrink about 2 years ago

#34 - AttributeError: module 'PIL.Image' has no attribute 'Resampling'

Issue - State: closed - Opened by OBrink about 2 years ago - 1 comment
Labels: bug

#33 - org.openscience.cdk.exception.InvalidSmilesException

Issue - State: closed - Opened by tulay about 2 years ago - 1 comment
Labels: bug

#31 - enable configuring depictor styles

Pull Request - State: closed - Opened by tulay about 2 years ago - 1 comment
Labels: enhancement

#30 - Let user choose which toolkits are enabled/disabled for random_depiction() calls

Issue - State: closed - Opened by OBrink about 2 years ago - 4 comments
Labels: enhancement

#29 - add space

Pull Request - State: closed - Opened by Kohulan about 2 years ago

#28 - Update README.md

Pull Request - State: closed - Opened by Kohulan about 2 years ago - 1 comment

#27 - TfRecord stops in the middle of generation

Issue - State: closed - Opened by Kohulan about 2 years ago - 1 comment

#26 - Tm dev

Pull Request - State: closed - Opened by OBrink about 2 years ago - 2 comments

#25 - Problem when processing big batches of images (512*512)

Issue - State: closed - Opened by OBrink about 2 years ago - 7 comments
Labels: bug

#24 - test failures

Issue - State: closed - Opened by tulay about 2 years ago - 6 comments

#23 - Implementation of depiction feature fingerprint-based generation of PIKAChU depictions

Pull Request - State: closed - Opened by OBrink about 2 years ago - 1 comment
Labels: enhancement

#22 - "Warning! Rogue electron." when depicting markush structures with PIKAChU

Issue - State: closed - Opened by OBrink about 2 years ago
Labels: enhancement, wontfix

#21 - Use SilentChemObjectBuilder instead of DefaultChemObjectBuilder

Issue - State: closed - Opened by OBrink about 2 years ago - 3 comments
Labels: enhancement

#20 - Install pikachu via pypi, setup and tox updated for python 3.10

Pull Request - State: closed - Opened by Kohulan about 2 years ago - 1 comment

#19 - hand-drawn like fix

Pull Request - State: closed - Opened by Iagea over 2 years ago - 2 comments

#18 - Add contribution statistics

Pull Request - State: closed - Opened by Kohulan over 2 years ago

#16 - Release PyPI package

Issue - State: closed - Opened by Kohulan over 2 years ago - 2 comments
Labels: To Do

#15 - Small corrections

Pull Request - State: closed - Opened by Kohulan over 2 years ago

#14 - Add documentation examples for markush structure depictions and hand-drawn augmentations

Issue - State: closed - Opened by OBrink over 2 years ago - 1 comment
Labels: enhancement

#13 - Integrate feature fingerprints for PIKAChU depictions

Issue - State: closed - Opened by OBrink over 2 years ago - 1 comment
Labels: enhancement

#12 - Integrate feature fingerprints for hand-drawn augmentations

Issue - State: open - Opened by OBrink over 2 years ago
Labels: enhancement

#11 - hand_drawn implementation

Pull Request - State: closed - Opened by Iagea over 2 years ago - 5 comments

#10 - Merge pull request #9 from OBrink/markush_structure_dataset_creation

Pull Request - State: closed - Opened by OBrink over 2 years ago

#9 - Markush structure dataset creation

Pull Request - State: closed - Opened by OBrink over 2 years ago
Labels: enhancement

#8 - PIKAChU integration

Pull Request - State: closed - Opened by OBrink over 2 years ago
Labels: enhancement

#7 - Integrate PIKAChU!

Issue - State: closed - Opened by OBrink over 2 years ago - 1 comment
Labels: enhancement

#6 - R group input SMILES compatibility

Pull Request - State: closed - Opened by OBrink over 2 years ago
Labels: enhancement

#5 - Code refactoring

Issue - State: closed - Opened by OBrink over 2 years ago
Labels: enhancement

#4 - Added the argument hand_drawn

Pull Request - State: closed - Opened by Iagea over 2 years ago - 1 comment
Labels: enhancement

#3 - Integrate R-group depiction

Issue - State: closed - Opened by OBrink over 2 years ago

#2 - Feature logger with fingerprint

Pull Request - State: closed - Opened by OBrink almost 3 years ago

#1 - Typo fix

Pull Request - State: closed - Opened by egonw about 3 years ago

GitHub / OBrink/RanDepict issues and pull requests