Library to aid in the storage of molecules and related data.
The main way this data structure is created is off of the idea that a matrix can be used to represent if bonds exist. Take water, H2O. One could construt a 3x3 matrix with col/row for each atom, then put a non-zero value for each bond. This would look something like this:
H1 H2 O1 H1 1 H2 1 O1 1 1
etc.