Tools (1-3 of 3)

1. Chemprop Demo

   Tools | 11 Apr 2022 | Contributor(s):: Kevin Greenman

   Demo of the Chemprop message-passing neural network package for the Hands-on Data Science and Machine Learning Training Series

2. Northwestern University Initiative for Teaching Nanoscience

   Tools | 12 Aug 2008 | Contributor(s):: Baudilio Tejerina

   This package allows users to study and analyze of molecular properties using various electronic structure methods.

3. Theoretical Electron Density Visualizer

   Tools | 01 Jul 2008 | Contributor(s):: Baudilio Tejerina

   TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.