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23 Open 46 Closed
23 Open 46 Closed
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Issues list

keep track of df index
#142 opened Jun 9, 2023 by dswigh
Only test remove_inconsistent_yields once
#136 opened Jun 6, 2023 by dswigh
Identification of catalysts
#92 opened May 5, 2023 by dswigh
Leading spaces - not a problem wontfix This will not be worked on
#90 opened May 2, 2023 by dswigh
Add test case with ice or ice water
#89 opened May 1, 2023 by dswigh
Expand testing
#82 opened Apr 25, 2023 by dswigh
Distinguish between solvent and acid/base enhancement New feature or request wontfix This will not be worked on
#80 opened Apr 21, 2023 by dswigh
Missing yields should always be NaN (never None)
#76 opened Apr 19, 2023 by dswigh
1
Combine ions to salt enhancement New feature or request wontfix This will not be worked on
#73 opened Apr 19, 2023 by dswigh
1
None should not be observed before data bug Something isn't working
#70 opened Apr 18, 2023 by Joearrowsmith
@dswigh
3
Check only single step reactions being extracted wontfix This will not be worked on
#64 opened Apr 18, 2023 by dswigh
1
agents less solvents enhancement New feature or request
#58 opened Apr 17, 2023 by Joearrowsmith
@dswigh
Set up molecule_names_list as dict instead of list enhancement New feature or request
#56 opened Apr 16, 2023 by dswigh
1
publish to pypi
#49 opened Apr 14, 2023 by Joearrowsmith
setup read the docs
#48 opened Apr 14, 2023 by Joearrowsmith
resolve nans and nones
#47 opened Apr 14, 2023 by Joearrowsmith
add test to check the defaults molecule replacement list values are canonicale enhancement New feature or request
#45 opened Apr 14, 2023 by Joearrowsmith
make the download script python native enhancement New feature or request
#44 opened Apr 14, 2023 by Joearrowsmith
1
Force all solvents in the solvents csv to be canonicalisable enhancement New feature or request
#33 opened Apr 12, 2023 by Joearrowsmith
Create diagram explaining args
#30 opened Apr 12, 2023 by dswigh
Extraction typing enhancement New feature or request
#22 opened Apr 10, 2023 by Joearrowsmith
@dswigh
1
Update atom mapping and reactant detection logic documentation Improvements or additions to documentation wontfix This will not be worked on
#21 opened Apr 8, 2023 by dswigh
1
Add args for prediction type enhancement New feature or request
#2 opened Mar 11, 2023 by dswigh
2
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