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1. Message-Passing Neural Networks for Molecular Property Prediction Using Chemprop

   Online Presentations | 06 May 2022 | Contributor(s):: Kevin Greenman

   Chemprop is an open-source implementation of a directed message passing neural network (D-MPNN) that has been demonstrated to be successful in predicting a variety of molecular properties, including solvation properties, optical properties, infrared spectra, and toxicity....

2. 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

3. 

   Thomas A Manz

   Tom Manz is a Chemical & Materials Engineering faculty at New Mexico State University. His research group develops new computational chemistry methods and physical interaction models. He is the...

   https://nanohub.org/members/222347

4. 

   David Vonlanthen

   https://nanohub.org/members/40768