Launch

FeNNol offers a modular and flexible platform to create and manage machine-learning-based neural network potentials. The library integrates seamlessly with the Jax library to leverage automatic differentiation and just-in-time compilation features, which significantly speeds up computational processes.

Advantages

• Modular system for easy integration of new models.
• Fast evaluation capabilities.
• Applicability in various molecular simulation settings.

FeNNol’s innovative approach opens new pathways for the development and application of neural network potentials in computational chemistry.