This is very interesting and something I've been thinking about lately. My research is in molecular dynamics. I've only been a grad student for one semester,

This is very interesting and something I've been thinking about lately. My research is in molecular dynamics. I've only been a grad student for one semester, but I've written a lot of code. The code I am currently working on takes a force-field description, combines it with a listing of atom coordinates, and completely automates the production of an input file to a simulation program. (This is less trivial than it sounds. All stretching, bending, torsional, and improper atom connections must be generated. Bond-orders must be determined, solely from the structure. And then this is combined with equations from the paper describing the force-field to give an energetic potential for each connection type). I would think this code could have a lot of value to other researchers. Though I doubt anyone in non-CS departments have even heard of Github.