Issues
- 1
requirements.txt out of date
#23 opened by jkshenton - 0
Command line interface
#16 opened by jkshenton - 3
Isotope data overhaul
#21 opened by jkshenton - 0
Avoiding exceptions in command line interface
#20 opened by dch0ph - 4
- 1
Add a proper method for matching similar structures with possibly differently ordered ions
#14 opened by stur86 - 1
License files
#9 opened by davedavemckay - 1
Add NH3 and CH3 NMR averaging script
#8 opened by stur86 - 1
- 0
Add support for J couplings in NMR module
#6 opened by stur86 - 0
defectGen test occasionally fails
#4 opened by stur86 - 0
- 0