Ensemble Builder
Project description
EnsembleBuilder uses compound activity data to train structure based ensembles to prospectively classify active and inactive compounds.
Free software: BSD license
Documentation: https://EB.readthedocs.org.
Features
Works with Python 2.6, 2.7, 3.3, 3.4
Installation
Installation prerequisites
NumPy: www.numpy.org
SciPy: www.scipy.org
Install EnsembleBuilder with pip
pip install EBInstall EnsembleBuilder by cloning the GitHub repo
git clone https://github.com/rvswift/EB
cd EB
make installUsage
To run, type ensemblebuilder on the command line
usage: ensemblebuilder <mode> <args>
ensemblebuilder <mode> to show help for that mode.
modes:
exhaustive Determine the best performer by considering all possible ensembles, O(2^N).
fastheuristic Determine the best ensemble using a O(N) heuristic.
slowheuristic Determine the best ensemble using an O(N^2) heuristic.
postanalysis Plot and analyze the performance of one or more ensembles.
splitter Split csv input into training and test sets.History
0.1.0 (ls)
First release on PyPI.
