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Shualdon
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QupKake
BSD 3-Clause "New" or "Revised" License
22
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you should tag the software (i.e. assign the current release a version)
#11
UnixJunkie
opened
3 weeks ago
0
Do we need to install xtb even if we have followed one of the two conda "recipes"? [question]
#10
UnixJunkie
opened
3 weeks ago
2
Discrepancy in Predicted pKa Values for Salicylic Acid
#9
bagulc
opened
2 months ago
0
csv input case 'name_col" error
#8
Daehun-Bae
opened
3 months ago
2
Retraining
#7
Nick-Mul
opened
4 months ago
3
QupKake instead of qupkake
#6
Evert-Homan
opened
5 months ago
1
Effect of Hydrogens and Kekulization on pKa Prediction
#5
arazthexd
opened
5 months ago
1
Full version list of used packages
#4
Gluroda
opened
5 months ago
0
Suggest: CPCM-X
#3
metma99
opened
5 months ago
1
error when specifying xtb version vs prepackaged binary
#2
ljmartin
closed
8 months ago
2
Tautomers?
#1
SSchott
opened
10 months ago
1