Omicron-Fluor

MCPoly

some methods to deal with some manipulation of computational chemistry, mostly about mechanical properties of polymers

effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

stk

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

Bamine-Armory

scikit-learn-mooc

Machine learning in Python with scikit-learn MOOC