Closed tfisher013 closed 3 years ago
Hi,
I wanted to check whether the current version of TorchANI has support for ionic species and, if so, to what extent. I looked in the documentation but couldn't find anything relating to ions.
Thanks for your help! Thomas
Hello @tfisher013, currently ANI does not support ions to any extent, this is a topic of current research in our group
Thanks for your reply, Ignacio! I appreciate it.
Hi,
I wanted to check whether the current version of TorchANI has support for ionic species and, if so, to what extent. I looked in the documentation but couldn't find anything relating to ions.
Thanks for your help! Thomas