Published April 5, 2023
| Version v1.0.0
Software
Open
Water, Methanol, and Acetonitrile Many-Body GDML Data and Analysis
Authors/Creators
Description
Provides the initial release of Python scripts for training ML potentials, curating and analyzing data, and generating figures.
Notes
If you use this dataset, please cite it as below.
Files
keithgroup/mbgdml-h2o-meoh-mecn-v1.0.0.zip
Additional details
Related works
- Is supplement to
- https://github.com/keithgroup/mbgdml-h2o-meoh-mecn/tree/v1.0.0 (URL)