Welcome to EMLE-Bespoke’s documentation!

EMLE-Bespoke is a Python package for training and using bespoke EMLE (Embedded Machine Learning Environment) models.

Contents:

Installation

To install EMLE-Bespoke, run:

pip install emle-bespoke

Quick Start

Here’s a simple example of using EMLE-Bespoke:

from emle_bespoke import EMLETrainer

# Initialize trainer
trainer = EMLETrainer()

# Train model
trainer.train(
    z=atomic_numbers,
    xyz=coordinates,
    s=s_values,
    q_core=q_core_values,
    q_val=q_val_values,
    alpha=alpha_values,
)

Indices and tables