Softwares

ReacNetGenerator

An automatic generator of reaction network for reactive molecular dynamics simulation.

MDDatasetBuilder

A script to construct reference datasets for the training of neural network potentials from given LAMMPS trajectories.

Chemical Tools

Essential tools for chemistry students.

Color

A tool to predict concentration based on the color.

DeePMD-kit

A deep learning package for many-body potential energy representation and molecular dynamics

DP-GEN

The deep potential generator