A couple of months ago I published a post describing Rowan a web native quantum chemistry package. I just noticed there is an update that allows the user to calculate pKa values. DOI
![](https://macinchem.org/wp-content/uploads/2024/03/Screenshot-2024-03-08-at-19.37.22.png)
It looks very interesting, but don’t use it with confidential structures.
Website is here https://labs.rowansci.com