Ecosyste.ms: Issues

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GitHub / VlachosGroup/PythonGroupAdditivity issues and pull requests

#30 - Updated Raecme

Pull Request - State: closed - Opened by wittregr 10 months ago

#29 - True up dev

Pull Request - State: closed - Opened by wittregr 11 months ago

#28 - Merge pull request #27 from VlachosGroup/master

Pull Request - State: closed - Opened by wittregr 11 months ago

#27 - Merge pull request #26 from VlachosGroup/development

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

#26 - Development

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

#25 - Sync Dev with Master

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

#24 - Fix missing S_elements in incomplete.py

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

#23 - SMARTS/SMILES

Issue - State: closed - Opened by pythonnewbie3 over 1 year ago - 1 comment

#22 - Sync Dev

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

#20 - Update to Python 3.10: need to change Mapping import

Issue - State: closed - Opened by ericchen-udel almost 2 years ago - 1 comment

#19 - Added compatibility with Python 3.10

Pull Request - State: closed - Opened by spgarcica almost 2 years ago - 1 comment

#18 - Parsing long SMILES fails

Issue - State: closed - Opened by wittregr almost 3 years ago - 1 comment

#17 - get_G does not account for entropy of the elements

Issue - State: closed - Opened by gmboyer about 4 years ago - 1 comment
Labels: bug, enhancement

#16 - Nitro group

Issue - State: closed - Opened by l0d0v1c almost 5 years ago - 2 comments

#15 - get_H and get_HoRT returning type error

Issue - State: closed - Opened by cjholdship almost 5 years ago - 3 comments
Labels: bug

#14 - Gauche still spelt wrong in corrections.yaml

Issue - State: closed - Opened by cjholdship almost 5 years ago - 3 comments

#13 - Typo in corrections.yaml

Issue - State: closed - Opened by cjholdship almost 5 years ago - 1 comment

#12 - Output enthalpy values not matching expected values

Issue - State: closed - Opened by cjholdship almost 5 years ago - 2 comments

#11 - Merging dev to master

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

#9 - Merge dev to master

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

#8 - Merge constants file changes

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

#7 - Merge initial sphinx set up to main dev branch

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

#6 - Add pMuTT.constants for all constants in VGA

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

#5 - Fix RINGParser and RDKit Wrapper test scripts

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

#4 - Interface with pMuTT

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

#3 - Sphinx page for VGA

Issue - State: open - Opened by wittregr over 5 years ago - 1 comment

#2 - Development Environment

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

#1 - Reorg and update for pip/conda packaging

Pull Request - State: closed - Opened by jtfrey almost 6 years ago