gensec package
Submodules
gensec.alphas module
gensec.coefficients module
gensec.defaults module
gensec.training module
This branch uses the training pipeline in gensec.training to train ML potentials
from scratch. The protocol entry point is run_training_pipeline (triggered when
training.activate is true), which handles labeling, dataset preparation, and MACE
training in one-shot or iterative loop mode.