InterOperabilty between mosdef
and openff
sofware stacks will be implemented in this repository
with plans to:
- Develop understanding of
OpenForceField
software stack. - Seek a one–to–one mapping between objects in
gmso
and theopenFF
software stack, enhancing the datastructures if needeed, to develop the specification that we initially agreed to. - Bring
gmso
esque features toOpenFF
and vice versa.