AMPL: A Data-Driven Modeling Pipeline for Drug Discovery

2 code implementations • 13 Nov 2019 • Amanda J. Minnich, Kevin McLoughlin, Margaret Tse, Jason Deng, Andrew Weber, Neha Murad, Benjamin D. Madej, Bharath Ramsundar, Tom Rush, Stacie Calad-Thomson, Jim Brase, Jonathan E. Allen

The ATOM Modeling PipeLine, or AMPL, extends the functionality of the open source library DeepChem and supports an array of machine learning and molecular featurization tools.

BIG-bench Machine Learning Drug Discovery +2