Tong Zhu Research Group (@tongzhugroup)
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Top repositories

1

mddatasetbuilder

A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
Python
37
star
2

Chapter13-tutorial

11
star
3

aimdfragmentation

A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).
Python
8
star
4

NNREAX

NN PES for reactions.
6
star
5

tongzhugroup.github.io

TeX
3
star
6

symmetryfunction

A place for group members to submit their practice
Jupyter Notebook
1
star
7

TRAJREAX

Trajectories of reactive MD simulations.
1
star
8

Molecule_Charge_Datasets_Collection

1
star