Closed jchodera closed 1 year ago
I was just about to raise this issue when I saw you've beaten me to it, @jchodera
I was gonna call it Structrual AnalyZer with Equivariance for Rapid Affinity Computation.
but on a second thought it's not half as elegant as SIDECAR.
Let's leave this for @kaminow to decide
I am about to cut a 0.1.0 release for @kaminow so that we can push ahead on some integration into asapdiscovery
. @jchodera @yuanqing-wang @kaminow if you would like to change the name it would probably be best to do it before I make any tags.
From talking with @kaminow and no immediate complaints I will close this issue and proceed to cutting a release. If people change their mind just re-open and I will sort it out.
MTENN is a great start, but I wonder if we can come up with a more clever name for this package.
Some ideas: