Thermochemistry
- Add new models for chemprop estimator to replace dde models #351
- Revamp GAVs for oxygenated sulfur species #360
- Add polycyclic GAVs for various strained molecules #333
Kinetics
- New automatically generated tree for R_Recombination #334, #369
- Refine root template for 1,2_NH3_elimination #350
- New DMSOxy kinetics family #360
- Add DMS related training reactions to H_abstraction #360
Bug fixes
- Fix drawing for 2+2_cycloaddition_Cd #345
- Fix incorrect SMILES in solute database #348
- Fix incorrect adjacency list for HON in kinetics libraries #350
- Fix typo in solvent parameters #357
Miscellaneous
- Update scripts and IPython notebooks for Python 3 #364