A research repository for applying Machine Learning techniques to Benzobisazoles. Most of this code is purely experimental.

• Python 2.7+
• Matplotlib 1.1.1rc
• Numpy 1.6.1
• Scipy 0.9.0
• Scikit-Learn 0.14.1
• PyBrain 0.3

$ python run.py

Note: If you are starting from just log files the following two commands are required. Also, you must have chemtools-webapp installed so that it can use the fileparser.

$ build_data.sh
$ python clean_data.py