User Guide

SevenNet offers various pretrained models, MD engines (ASE, LAMMPS), and user interfaces (CLI, Python). For more information, please see the documentation below.

Models

• Pretrained models

Installation

• Accelerators
• LAMMPS: ML-IAP
• LAMMPS: PyTorch

Features

• ASE calculator
• Command line interface
• CUDA-accelerated Grimme’s D3
• Notebook tutorials