This release mostly comprises search CLI usability improvements and fixes for installation-related issues. It is also the last version to support Python 3.7.
Changed
Added
- Reuse search results when given a partially filled directory (#98) ([@kmaziarz])
- Expose
stop_on_first_solution
as a CLI flag (#100) ([@kmaziarz]) - Add an option to set time limit for route extraction (#104) ([@kmaziarz])
- Extend single-step evaluation with stereo-agnostic results (#102) ([@kmaziarz])
Fixed
- Install
torch_scatter
from conda instead of pip (#110) ([@kmaziarz]) - Remove dependency on
typing_extensions
for Python 3.8+ (#107) ([@AustinT]) - Pin further Chemformer dependencies to avoid
torch
reinstallation (#108) ([@kmaziarz]) - Shift the
pandas
dependency to the external model packages (#94) ([@kmaziarz]) - Fix constructor arguments in
ParallelReactionModel
(#96) ([@kmaziarz])