Molecular Structure Distance

[PaulWAyers]

@fwmeng88 should we add a tutorial on how to compute the distance between molecular structures/isomers, along the lines of what is done in the project with @rayhe88 and @Nick6618 .

[FanwangM]

We can definitely do this after finishing the project with @rayhe88 and @Nick6618. I think it will end up with a Jupyter notebook. Thanks for reminding this.

Let me add this as an enhancement. @PaulWAyers