Releases: MolecularAI/QSARtuna
Releases · MolecularAI/QSARtuna
3.1.1
3.1.0
This release has bug fixes and stability improvements.
PathFP fingerprints added
KNN algorithms added
ZScales descriptors and co-variate auxiliary descriptors
PCM support and peptide-protein modelling support
Precomputed descriptors inference improvements
ChemProp MPS support
3.0.0.1
QPTUNA was renamed to QSARtuna to avoid confusion with the original Optuna OSS
qsartuna-3.0.0.1.tar.gz
3.0.0
Uncertainty estimation, explainability, model calibration, ChemProp and more new functionailities
2.4.1
This is the first public release of Qptuna.