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

Precision Medicine as an Accelerator for Next Generation Cognitive Supercomputing

no code implementations • 29 Apr 2018 • Edmon Begoli, Jim Brase, Bambi DeLaRosa, Penelope Jones, Dimitri Kusnezov, Jason Paragas, Rick Stevens, Fred Streitz, Georgia Tourassi

In the past several years, we have taken advantage of a number of opportunities to advance the intersection of next generation high-performance computing AI and big data technologies through partnerships in precision medicine.