Package of scripts for MLIP training, validation, and deployment developed while in Szilvasi Group
Project description
pymlip
This python package is a collection of scripts to use for training machine learning interatomic potentials, or mlips, in python.
This package is currently interfaced to the following codes
- Nequip
- Allegro
Learning Rate Module
In the pymlip/lrlambda.py file, there are pre-defined learning rate schedules which are compatible with Nequip directly. See the examples folder to see how to input these learning rates into the nequip.yaml files.
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