v2.3.1-alpha

Lowered Postera API max pages parameter to 10.

v2.3.0

Updated reaction smirks, added new additional reaction options, and updated documentation to provide a tutorial on editing.

v2.2.3-alpha

Updated error handling for a failed API Postera Manifold query. If a query completely fails, will error out pipeline.

v2.2.1-alpha

What's Changed

• tiny docs fix by @mwinokan in #74
• added --no_scaffold_place CLI option

Full Changelog: v2.2.0-alpha...v2.2.1-alpha

v2.2.0-alpha

Added justretroquery function.

v2.1.7-alpha

Updated Ester Amidation SMIRKS

v2.1.6-alpha

More debugging. Removing purchase info finding for superstructure search.

v2.1.5-alpha

Catching error if product from previous step not found.

v2.1.4-alpha

Checking inputs debugging.

v2.1.3-alpha

Debugged scaffold placement.