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Wishlist: HSQC simulation based on RDKit adjacency matrix
bug
Something isn't working
documentation
Improvements or additions to documentation
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enhancement
New feature or request
question
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wontfix
This will not be worked on
#21
opened Nov 8, 2024 by
mkedwards
NMR Spectrum / ORCA 6.x .out file peak arithmetic looks way off
bug
Something isn't working
documentation
Improvements or additions to documentation
duplicate
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enhancement
New feature or request
question
Further information is requested
wontfix
This will not be worked on
#20
opened Nov 7, 2024 by
mkedwards
CREST tautomerizm screening output
bug
Something isn't working
documentation
Improvements or additions to documentation
duplicate
This issue or pull request already exists
enhancement
New feature or request
question
Further information is requested
wontfix
This will not be worked on
#19
opened Oct 30, 2024 by
Whility
File tool
enhancement
New feature or request
question
Further information is requested
#14
opened Oct 26, 2023 by
steto123
ProTip!
What’s not been updated in a month: updated:<2024-10-19.