M-R-Schaefer/IPSuite

Machine Learned Interatomic Potential Tools

IPS - The Inter Atomic Potential Suite

IPS provides you with tools to generate Machine Learned Interatomic Potentials.

Install the package to get started or check out an interactive notebook

pip install ipsuite

Examples can be found at:

• https://dagshub.com/PythonFZ/IPS-Examples/src/intro/main.ipynb
• https://dagshub.com/PythonFZ/IPS-Examples/src/graph/main.ipynb
• https://dagshub.com/PythonFZ/IPS-Examples/src/modifiy_graph/main.ipynb