What is next?

[RacerX]

Anyone know what is meant by "Smarter new algorithm" that is supposedly coming up next? If so, would you be so kind as to share the abridged, laymans explanation?

[DocWardo]

Lets see if I have it straight.

Current model uses a brute force technique to generate structures based on a random starting point. Quantity is the key. There is little or no refinement of a stucture before you send it back.

The new alogorithm will go through a generational refinement to minimize the energies of the structures before they are returned. by minimizing the engergy of the stucture we try to mimic nature, as nature always likes things in it's lowest energy states (or nearly so). Now because of this refinement the number of stuctures will probably be lower, but the quality of those stuctures will be much higher.
So boiling it all down to: Quantity(old, fast) vs. Quality (new, slower)

This is just my understanding of the project from reading the boards, and a little of the science portion of the DF site. Heck I havent even installed the beta client yet. I should but I am just too busy now that we only have a month of school left. My personal computational chemistry experience is limited to small and medium sized organic molecules (potential pharmacuticals)