OpenChem: A Deep Learning Toolkit for Computational Chemistry and Drug Design

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 04, 2021
Source ID
10.1021/acs.jcim.0c00971

Entities

People

  • Alexander Tropsha
  • Boris Ginsburg
  • Maria Korshunova
  • Olexandr Isayev

Organizations

  • Carnegie Mellon University
  • Division of Chemistry
  • Eshelman Institute for Innovation, University of North Carolina
  • National Institute of General Medical Sciences
  • Nvidia
  • Office of Naval Research
  • University of North Carolina at Chapel Hill

Tags

Technology Areas

  • AI & ML
  • AI & ML - Neural Networks