computational-ms/unimod-mapper issues and pull requests

#50 - test the tests for changing unimod.xml

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

#49 - Add function to read mapped mods as df

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

#48 - Main back to dev

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

#47 - dev into main

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

#46 - Moved import of ChemicalComposition to mao_mods function

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

#45 - Update version.txt

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

#44 - Add new compositions_to_ functions

Pull Request - State: closed - Opened by fu over 2 years ago - 3 comments

#43 - AttributeError: 'UnimodMapper' object has no attribute 'composition_to_name'

Issue - State: closed - Opened by MKoesters over 2 years ago - 1 comment

#42 - Add ChemicalComposition import

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

#41 - fixed type conversion from float64 to Float64

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

#40 - queries fail if numexpr is installed

Issue - State: closed - Opened by tristan-ranff almost 3 years ago
Labels: bug

#39 - Fix parsing when xmls dont have a record_id entry

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

#38 - Refactor using pandas

Pull Request - State: closed - Opened by fu about 3 years ago - 2 comments

#37 - Fix test by removing the acceptance that duplicates are reported

Pull Request - State: closed - Opened by fu about 3 years ago - 1 comment

#36 - Update unimod_mapper.py

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

#35 - Master

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

#34 - Merge dev into master

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

#33 - neutralloss update

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

#32 - bugfix map_mods to account for negative chemical compositions

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

#31 - Set links for badges

Issue - State: open - Opened by StSchulze over 3 years ago
Labels: low priority

#30 - Master

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

#29 - Merge Dev into master

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

#28 - Update tox_ci.yml

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

#27 - Merge master back to dev

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

#26 - Merge Dev into master

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

#25 - CD using github actions

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

#24 - Merge dev into master

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

#23 - [WIP] github actions CI/CD

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

#22 - Correct packaging

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

#21 - Discrepancy between shipped and up-to-date unimod.xml

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

#20 - Optional inclusion of default files

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

#19 - Update README.md

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

#18 - Update README.md

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

#17 - merge master back to dev

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

#16 - Merge dev into master

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

#15 - Feature/update for comet

Pull Request - State: closed - Opened by ArtiVlasov over 3 years ago - 5 comments

#14 - Feature/map mods mod dict

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

#13 - Mapping of mod position

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

#12 - Fix/x2first functions

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

#11 - Changed usermods to usermod for compatibility

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

#10 - File and usermod handling

Pull Request - State: closed - Opened by gavswe over 3 years ago - 9 comments

#9 - create a usermods.xml dummy file

Pull Request - State: closed - Opened by ArtiVlasov over 3 years ago - 2 comments

#8 - Remove list kwarg in method definition

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

#7 - included writeXML functionality and testing

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

#6 - Feature/unimod file handling

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

#5 - Allow int as unimod ID

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

#4 - add CD

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

#3 - Update setup

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

#2 - Update unimod_mapper.py

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

#1 - add very basic setup script

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

GitHub / computational-ms/unimod-mapper issues and pull requests