The drive around the east end is gorgeous -- comparable to Maui's Road to Hana (but different), IMHO. Along the way there are small beaches, mature koa, mokua iniki, and amazing ranchlands. At the end of the road you come to Halawa Bay, where there's a nice park for a picnic with makai view of Maui and mauka views of waterfalls in the distance.
We had good breakfasts and lunches at Kamuela's and enjoyed Molokai Pizza in Kaunakakai. And everybody knows to get flatbread and/or sweetbread at Kanemitsu's downtown.
If you're interested in ag tours, Purdy's mac farm is good, but you might also want to get in touch with Puu o Hoku (
Pu'u O Hoku Ranch - Lodge and Retreat Center, Molokai, Hawaii). It's my understanding that this beautiful east end ranch has started an organic farm. I don't know if they're doing tours, but the property is really pretty and I met the farm manager recently on Maui.
The barrier reef and fishponds make for some interesting paddling. Molokai Fish and Dive has rentals, I think. It's a very friendly place. Like any small place, the people open up when you appreciate what they have. There are lots of spots locals can direct you to, and things can be really seasonal there, so call ahead for any activity before you drive there.
Best of luck -- have fun.