Shirts, Michael R.
2019-09-11
<p>Michael Shirts gives an overview of physical properties data used for parameterization and data that will be used for validation of the OpenFF force fields. An overview of the available databases and resources was also provided. This presentation was given as a part of the Open Force Field Consortium Workshop (OFFCW) in San Diego on Aug 30, 2019.</p>
<p>The uploaded material contains presentation slides and video.</p>
https://doi.org/10.5281/zenodo.3405567
oai:zenodo.org:3405567
Zenodo
https://youtu.be/IzK9ehmghKo
https://zenodo.org/communities/openforcefield
https://doi.org/10.5281/zenodo.3405566
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
Open Force Field Initiative
Physical properties
PropertyEstimator
Validation
Fitting
Parsley
Parameterization Perspective IV: Data for Parameterization and Validation - Physical Properties
info:eu-repo/semantics/lecture