Sage 2.2

Tasks

Driver

Status

Tasks

Driver

Status

Further sulf(on)amide improvements

Pavan Behara (former)

 

Stalled

Evaluating priors

@Alexandra McIsaac

In Progress

Torsion multiplicity

Meghan Osato (former), Jessica Maat (former), Pavan Behara (former),

@Brent Westbrook

Stalled

Increasing dataset coverage

 

Not started

Re-fitting improper dihedral parameters

 

Not started

Filtering conformers for training

@Alexandra McIsaac

In progress

Fitting torsions to small molecules

@Alexandra McIsaac

in progress

Building test suite for known problems

 

ongoing

Using Espaloma to discover areas to improve parameters

@Brent Westbrook

Not started