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Ensemble Builder

Project description

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EnsembleBuilder uses compound activity data to train structure based ensembles to prospectively classify active and inactive compounds.

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 EB

Install EnsembleBuilder by cloning the GitHub repo

git clone https://github.com/rvswift/EB
cd EB
make install

Usage

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.

Project details


Download files

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Filename, size & hash SHA256 hash help File type Python version Upload date
EB-0.1.5-py2.py3-none-any.whl (40.2 kB) Copy SHA256 hash SHA256 Wheel 2.7 Nov 19, 2015
EB-0.1.5.tar.gz (35.3 kB) Copy SHA256 hash SHA256 Source None Nov 19, 2015

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