openforcefield / openff-evaluator

A physical property evaluation toolkit from the Open Forcefield Consortium.
https://docs.openforcefield.org/projects/evaluator
MIT License
55 stars 18 forks source link

Temporarily remove pAPRika interface #571

Closed mattwthompson closed 1 month ago

mattwthompson commented 1 month ago

Short version: pAPRika is undergoing some changes and Evaluator maybe be better off removing the interface in this period of time and adding it back in the future.

FTR, this is coming from @j-wags who is coordinating the people and software around this. I may not have all of the details, I'm just moving this task forward.