bytedance/byteff

Systematic force field optimization.

Force fields produced by the Open Force Field Initiative

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

High level API for using machine learning models in OpenMM simulations

CHARMM and AMBER forcefields for OpenMM (with small molecule support)

ORB forcefield models from Orbital Materials

Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)

A package for atom-typing as well as applying and disseminating forcefields

Training neural network potentials