Groovy
Switch branches/tags
Nothing to show
Clone or download
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Failed to load latest commit information.
.idea
.utility
data
decider-workspace
grails-app
lib
src
test
web-app
wrapper
.gitattributes
.gitignore
.travis.yml
LICENSE
README.md
application.properties
gambit-mock
grailsw
grailsw.bat
theDecider.iml

README.md

The Decider

Download Apache License Build Status Coverage Status Join the chat at https://gitter.im/wallerlab/Lobby

A web app that uses game theory to select the optimal density functional and basis set combination.

myavatar_medium

The Decider receives input from user-drawn molecules, and user-chosen parameters, and then calculates Nash Equilibria (NE). The results are then shown to the user, so they can make a more informed choice.

decider copy

According to wikipedia, Nash Equilibrium is “a solution concept of a non-cooperative game involving two or more players, in which…no player can benefit by changing strategies while the other players keep theirs unchanged”

ne

The NE for the decider is based on:

  1. Similarity of user-drawn system with benchmarked system

  2. Mean percentage deviation of benchmarked system against references

  3. Complexity of method (combination of basis set, functionals, and system)

Documentation

javadoc

Slides

Slides

Contact us

contact