Summary:
- RMG currently uses
chemprop version 0.0.1 to perform machine learning prediction of molecular thermochemistry
- This version only supports Python version 3.7 and 3.8, so it is blocking the upgrade of RMG to Python 3.11/12
chemprop will be temporarily removed from RMG to allow upgrading Python versions
This was the original PR where removing chemprop was started, and was eventually folded into #2553.
The eventual re-integration of chemprop will be dependent on the first stable release of v2 (and other steps mentioned in the first linked PR) detailed in this issue: