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New version?

Status: Open.

#18 In Shualdon/QupKake;

· ywu opened on Jan 8, 2026

Any consideration to release this software as Conda and/or Pip package?

Status: Open.

#17 In Shualdon/QupKake;

· ywu opened on Nov 5, 2025

Featurizer error

Status: Open.

#14 In Shualdon/QupKake;

· jslim-furame opened on Apr 26, 2025

sometimes, a pka value is listed as "tensor(x)" instead of just the float value x

Status: Open.

#13 In Shualdon/QupKake;

· UnixJunkie opened on Jan 3, 2025

qupkake -mp 1 but xtb still using many threads

Status: Open.

#12 In Shualdon/QupKake;

· UnixJunkie opened on Jan 2, 2025

you should tag the software (i.e. assign the current release a version)

Status: Open.

#11 In Shualdon/QupKake;

· UnixJunkie opened on Nov 4, 2024

Discrepancy in Predicted pKa Values for Salicylic Acid

Status: Open.

#9 In Shualdon/QupKake;

· bagulc opened on Sep 1, 2024

csv input case 'name_col" error

Status: Open.

#8 In Shualdon/QupKake;

· Daehun-Bae opened on Aug 26, 2024

Retraining

Status: Open.

#7 In Shualdon/QupKake;

· Nick-Mul opened on Jul 29, 2024

QupKake instead of qupkake

Status: Open.

#6 In Shualdon/QupKake;

· ghost opened on Jun 25, 2024

Effect of Hydrogens and Kekulization on pKa Prediction

Status: Open.

#5 In Shualdon/QupKake;

· arazthexd opened on Jun 12, 2024

Full version list of used packages

Status: Open.

#4 In Shualdon/QupKake;

· Gluroda opened on Jun 11, 2024