Ecosyste.ms: Issues

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GitHub / molssi-seamm/from_smiles_step issues and pull requests

#25 - Updating CI to newer version

Pull Request - State: closed - Opened by paulsaxe 27 days ago - 1 comment

#24 - Bugfix: Issue recognizing chemical names

Pull Request - State: closed - Opened by paulsaxe 28 days ago
Labels: bug

#23 - Bugfix: incorrectly creating configurations

Pull Request - State: closed - Opened by paulsaxe about 1 year ago - 1 comment
Labels: bug

#22 - Only use names if the user specifies names.

Pull Request - State: closed - Opened by paulsaxe about 1 year ago
Labels: bug

#21 - Improved structure handling, added from names

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

#20 - Added support for InChI and InChIKeys

Pull Request - State: closed - Opened by paulsaxe over 1 year ago - 1 comment
Labels: enhancement

#19 - Adding metadata for Zenodo as a first step to adding a Zenodo DOI.

Pull Request - State: closed - Opened by paulsaxe over 3 years ago - 1 comment

#18 - Improved system handling to give choice.

Pull Request - State: closed - Opened by paulsaxe over 3 years ago - 2 comments
Labels: enhancement

#17 - SMILES entry is too short

Issue - State: open - Opened by seamm over 3 years ago

#16 - Upgraded to be compatible with the new system description.

Pull Request - State: closed - Opened by paulsaxe almost 4 years ago

#15 - Adding the new documentation setup, and using CI to create.

Pull Request - State: closed - Opened by paulsaxe almost 4 years ago - 1 comment
Labels: Documentation

#14 - Updating for the new command-line option handling

Pull Request - State: closed - Opened by paulsaxe about 4 years ago - 1 comment
Labels: enhancement

#13 - Changes to CI stuff that missed the previous PR

Pull Request - State: closed - Opened by seamm about 4 years ago - 1 comment

#11 - Changed requirements.txt into a minimal, pinned version.

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

#10 - Bugfix

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

#9 - Bump pillow from 6.1.0 to 6.2.0

Pull Request - State: closed - Opened by dependabot[bot] about 5 years ago
Labels: dependencies

#8 - Initial Update

Issue - State: closed - Opened by pyup-bot about 5 years ago

#7 - Setting up configuration files

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

#6 - Cleanup/description

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

#5 - Crash in description

Issue - State: closed - Opened by seamm over 5 years ago - 1 comment
Labels: bug

#4 - Setting up everything needed for Travis, ReadTheDocs and automated testing

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

#3 - Rename

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

#2 - Creating installation documentation

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

#1 - First working prototype

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