Tags: property prediction

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  1. GPU Implementation of MXMNet

    01 Jun 2022 | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan

    GPU Implementation of MXMNet

  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. Andrés Felipe Sierra

    BSc Chemical Engineering & Data Scientist. Materials Science and Nanotech enthusiasm.

    https://nanohub.org/members/344047

  4. IMA 2013 UQ: Foam Property Prediction from Process Modeling

    Online Presentations | 28 May 2014

    We are developing computational models to elucidate the injection, expansion, and dynamic filling process for polyurethane foam such as PMDI. The polyurethane is a chemically blown foam, where carbon dioxide is produced via reaction of water, the blowing agent, and isocyanate. In a competing...