cclib: A library for package-independent computational chemistry algorithms.

Noel M. O'Boyle Adam L. Tenderholt Karol M. Langner

Published in: J. Comput. Chem. (2008)

Keyphrases

computationally efficient
significant improvement
orders of magnitude
learning algorithm
information systems
decision trees
nearest neighbor
machine learning algorithms
computational efficiency
times faster
graph theory