All Categories (1-3 of 3)

1. Hands-On Workshop in nanoHUB: Machine Learning Models for Ionic Conductivity with Schrödinger's AutoQSAR

   Online Presentations | 29 Nov 2023 | Contributor(s):: Michael Rauch

   In this workshop, we will demonstrate the hands-on use of Schrödinger's MS Maestro graphical user interface within nanoHUB to perform machine learning model creation and implementation.

2. Schrödinger Materials Science AutoQSAR for Machine Learning

   Tools | 11 Sep 2023

   Build quantitative structure-activity relationships (QSAR) automatically for molecular systems with Schrödinger's AutoQSAR tool

3. Citrine Tools for Materials Informatics

   Tools | 05 Dec 2019 | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan

   Jupyter notebooks for sequential learning in the context of materials design. Run your own models, explore various methods and adapt the notebooks to your needs.