Pinned Repositories
aenet
Atomic interaction potentials based on artificial neural networks
ase_tools
Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.
dftfit
Interatomic potential creating using DFT training data.
dpgen
The deep potential generator
git-learning
git-test
GPUMD
https://gpumd.zheyongfan.org
hello-world
just an example
IonbeamWeb
mddatasetbuilder
A script to build molecular dynamics (MD) datasets for neural networks from given LAMMPS trajectories automatically.
mlearn
Benchmark Suite for Machine Learning Interatomic Potentials for Materials
wanghaopku's Repositories
wanghaopku/aenet
Atomic interaction potentials based on artificial neural networks
wanghaopku/ase_tools
Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.
wanghaopku/dftfit
Interatomic potential creating using DFT training data.
wanghaopku/dpgen
The deep potential generator
wanghaopku/git-learning
git-test
wanghaopku/GPUMD
https://gpumd.zheyongfan.org
wanghaopku/hello-world
just an example
wanghaopku/IonbeamWeb
wanghaopku/mddatasetbuilder
A script to build molecular dynamics (MD) datasets for neural networks from given LAMMPS trajectories automatically.
wanghaopku/mlearn
Benchmark Suite for Machine Learning Interatomic Potentials for Materials
wanghaopku/Phonopy-Spectroscopy
A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
wanghaopku/scikit-learn-doc-zh
:book: [译] scikit-learn（sklearn） 中文文档
wanghaopku/SIMPLE-NN
SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)