This project intends to develop a method of calculating atomic charges using neural networks approach. While traditional methods rely on quantum chemistry, this one is faster and requires less compute power. The project's status is pre-alpha.

Tags:

chemistry, artificial-intelligence, neural-networks, hpc, c++

Members:

1

Source License:

CDDL-1.0, LGPL-2.1

• » Join This Project
• » Get Source Code
  • Mercurial:
  • https://hg.kenai.com/hg/charges~mercurial-repository
  • (browse)
  • Subversion:
  • https://svn.kenai.com/svn/charges~subversion-repository
  • (browse)